4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide

C11H10ClFN4OS — CID 107371265

IUPAC4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)Nc2cc(F)cc(Cl)c2)s1
InChIInChI=1S/C11H10ClFN4OS/c1-15-11-17-9(14)8(19-11)10(18)16-7-3-5(12)2-6(13)4-7/h2-4H,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyJCGDRDSHAZKXPB-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.81
Rot. Bonds3

About 4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 107371265) has the molecular formula C11H10ClFN4OS and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID107371265
Molecular FormulaC11H10ClFN4OS
Molecular Weight300.75 g/mol
Exact Mass300.02
IUPAC Name4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)Nc2cc(F)cc(Cl)c2)s1
InChIInChI=1S/C11H10ClFN4OS/c1-15-11-17-9(14)8(19-11)10(18)16-7-3-5(12)2-6(13)4-7/h2-4H,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyJCGDRDSHAZKXPB-UHFFFAOYSA-N
XLogP2.81
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(methylamino)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-5-carboxamide
CID 116665575
4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116673325
4-amino-N-(4-fluoro-3-methoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 114841246
4-amino-N-(4-fluoro-2-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671143
4-amino-2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116671107
4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669239
4-amino-N-(2-chloro-4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 107605093
4-amino-N-(3-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668436
2-amino-N-(3-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
CID 107370448
4-amino-N-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668356
4-amino-N-(2,4-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668417
4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668462

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 107371265) is 4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)Nc2cc(F)cc(Cl)c2)s1.
What is the InChIKey of 4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is JCGDRDSHAZKXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4OS/c1-15-11-17-9(14)8(19-11)10(18)16-7-3-5(12)2-6(13)4-7/h2-4H,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 107371265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).