N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

C18H12Cl2N6OS — CID 55811504

IUPACN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1csc(-c2ncccn2)n1
InChIInChI=1S/C18H12Cl2N6OS/c19-12-3-2-11(13(20)8-12)9-26-15(4-7-23-26)25-17(27)14-10-28-18(24-14)16-21-5-1-6-22-16/h1-8,10H,9H2,(H,25,27)
InChIKeyPEURJFTZUBQLPB-UHFFFAOYSA-N
MW431.31 g/mol
LogP4.40
Rot. Bonds5

About N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 55811504) has the molecular formula C18H12Cl2N6OS and a molecular weight of 431.31 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID55811504
Molecular FormulaC18H12Cl2N6OS
Molecular Weight431.31 g/mol
Exact Mass430.02
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1csc(-c2ncccn2)n1
InChIInChI=1S/C18H12Cl2N6OS/c19-12-3-2-11(13(20)8-12)9-26-15(4-7-23-26)25-17(27)14-10-28-18(24-14)16-21-5-1-6-22-16/h1-8,10H,9H2,(H,25,27)
InChIKeyPEURJFTZUBQLPB-UHFFFAOYSA-N
XLogP4.40
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.31
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-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-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazine-2-carboxamide
CID 16567956
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4,5-trimethoxybenzamide
CID 55435526
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-fluorobenzamide
CID 55435457
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 16568023
2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide
CID 112799143
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4,5-difluorobenzamide
CID 55435501
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16568103
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55820641
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 16568051
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-thiophen-3-ylacetamide
CID 18096280
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-piperidin-1-ylsulfonylbenzamide
CID 55435502
N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55435270

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (CID 55811504) is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1csc(-c2ncccn2)n1.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PEURJFTZUBQLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N6OS/c19-12-3-2-11(13(20)8-12)9-26-15(4-7-23-26)25-17(27)14-10-28-18(24-14)16-21-5-1-6-22-16/h1-8,10H,9H2,(H,25,27).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 431.31 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55811504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).