N-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide

C19H20Cl2N6OS2 — CID 163419186

IUPACN-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ncc(C(=O)Nc3c(Cl)csc3Cl)s2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H20Cl2N6OS2/c1-11-23-12(7-15(24-11)27-5-3-26(2)4-6-27)8-16-22-9-14(30-16)19(28)25-17-13(20)10-29-18(17)21/h7,9-10H,3-6,8H2,1-2H3,(H,25,28)
InChIKeyNJRGPLRQSXQRPW-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.20
Rot. Bonds5

About N-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide

N-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 163419186) has the molecular formula C19H20Cl2N6OS2 and a molecular weight of 483.45 g/mol. Its IUPAC name is N-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID163419186
Molecular FormulaC19H20Cl2N6OS2
Molecular Weight483.45 g/mol
Exact Mass482.05
IUPAC NameN-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ncc(C(=O)Nc3c(Cl)csc3Cl)s2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H20Cl2N6OS2/c1-11-23-12(7-15(24-11)27-5-3-26(2)4-6-27)8-16-22-9-14(30-16)19(28)25-17-13(20)10-29-18(17)21/h7,9-10H,3-6,8H2,1-2H3,(H,25,28)
InChIKeyNJRGPLRQSXQRPW-UHFFFAOYSA-N
XLogP4.20
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2-fluorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 162346397
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[2,2,3,3,5,5,6,6-octadeuterio-4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 169437097
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 75989634
carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne
CID 163719895
N-(2-chloro-6-methylphenyl)-2-[(2-methyl-6-piperazin-4-id-1-ylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;vanadium
CID 172602783
2-methyl-6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109366936
2-[[6-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 90367547
N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;methane
CID 24795068
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;ethane
CID 144702960
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-(methylaminomethoxy)ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 144687997
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 25166573
N-(2-chloro-6-methylphenyl)-2-[[2-hydrazinyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 131989212

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide (CID 163419186) is N-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ncc(C(=O)Nc3c(Cl)csc3Cl)s2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of N-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NJRGPLRQSXQRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6OS2/c1-11-23-12(7-15(24-11)27-5-3-26(2)4-6-27)8-16-22-9-14(30-16)19(28)25-17-13(20)10-29-18(17)21/h7,9-10H,3-6,8H2,1-2H3,(H,25,28).
What are the key properties of N-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
N-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorothiophen-3-yl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 163419186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).