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

C12H12ClFN4OS — CID 116669218

IUPAC4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)Nc2cccc(Cl)c2F)s1
InChIInChI=1S/C12H12ClFN4OS/c1-18(2)12-17-10(15)9(20-12)11(19)16-7-5-3-4-6(13)8(7)14/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyOOBBOHWONACUES-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.84
Rot. Bonds3

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

4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116669218) has the molecular formula C12H12ClFN4OS and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116669218
Molecular FormulaC12H12ClFN4OS
Molecular Weight314.77 g/mol
Exact Mass314.04
IUPAC Name4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)Nc2cccc(Cl)c2F)s1
InChIInChI=1S/C12H12ClFN4OS/c1-18(2)12-17-10(15)9(20-12)11(19)16-7-5-3-4-6(13)8(7)14/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyOOBBOHWONACUES-UHFFFAOYSA-N
XLogP2.84
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116668442
4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116671148
4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116665584
4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116671221
4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663693
3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide
CID 60778064
4-amino-2-[ethyl(methyl)amino]-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668996
4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663930
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
(3-chloro-2-fluorophenyl)urea
CID 28969166
4-amino-2-(dimethylamino)-N-(4-ethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 116667999
3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64524808

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide (CID 116669218) is 4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)Nc2cccc(Cl)c2F)s1.
What is the InChIKey of 4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is OOBBOHWONACUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4OS/c1-18(2)12-17-10(15)9(20-12)11(19)16-7-5-3-4-6(13)8(7)14/h3-5H,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).