N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C20H22ClN5O3S — CID 55388539

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCCCn1c(N)c(N(C)C(=O)c2sc(-c3cccc(Cl)c3)nc2C)c(=O)[nH]c1=O
InChIInChI=1S/C20H22ClN5O3S/c1-4-5-9-26-16(22)14(17(27)24-20(26)29)25(3)19(28)15-11(2)23-18(30-15)12-7-6-8-13(21)10-12/h6-8,10H,4-5,9,22H2,1-3H3,(H,24,27,29)
InChIKeyBYCDIXGGQIAMKG-UHFFFAOYSA-N
MW447.95 g/mol
LogP3.28
Rot. Bonds6

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 55388539) has the molecular formula C20H22ClN5O3S and a molecular weight of 447.95 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID55388539
Molecular FormulaC20H22ClN5O3S
Molecular Weight447.95 g/mol
Exact Mass447.11
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCCCn1c(N)c(N(C)C(=O)c2sc(-c3cccc(Cl)c3)nc2C)c(=O)[nH]c1=O
InChIInChI=1S/C20H22ClN5O3S/c1-4-5-9-26-16(22)14(17(27)24-20(26)29)25(3)19(28)15-11(2)23-18(30-15)12-7-6-8-13(21)10-12/h6-8,10H,4-5,9,22H2,1-3H3,(H,24,27,29)
InChIKeyBYCDIXGGQIAMKG-UHFFFAOYSA-N
XLogP3.28
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.95
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-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-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 134015239
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855413
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide
CID 55478385
2-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55439249
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
CID 9167061
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-chlorophenyl)prop-2-enamide
CID 29441374
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261970
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-chloro-N-[(2-methoxyphenyl)methyl]benzamide
CID 4828613
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide
CID 55339298
2-(3-chlorophenyl)-N,4-dimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,3-thiazole-5-carboxamide
CID 97259892
N-(3-amino-3-oxopropyl)-2-(3-chlorophenyl)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99163895

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 55388539) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is CCCCn1c(N)c(N(C)C(=O)c2sc(-c3cccc(Cl)c3)nc2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is BYCDIXGGQIAMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3S/c1-4-5-9-26-16(22)14(17(27)24-20(26)29)25(3)19(28)15-11(2)23-18(30-15)12-7-6-8-13(21)10-12/h6-8,10H,4-5,9,22H2,1-3H3,(H,24,27,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 447.95 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55388539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).