4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide

C14H17ClN4OS — CID 116663930

IUPAC4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1sc(N(C)C)nc1N)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN4OS/c1-8(9-5-4-6-10(15)7-9)17-13(20)11-12(16)18-14(21-11)19(2)3/h4-8H,16H2,1-3H3,(H,17,20)
InChIKeyQXTLSJWENVWMNA-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.94
Rot. Bonds4

About 4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116663930) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116663930
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1sc(N(C)C)nc1N)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN4OS/c1-8(9-5-4-6-10(15)7-9)17-13(20)11-12(16)18-14(21-11)19(2)3/h4-8H,16H2,1-3H3,(H,17,20)
InChIKeyQXTLSJWENVWMNA-UHFFFAOYSA-N
XLogP2.94
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(dimethylamino)-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-thiazole-5-carboxamide
CID 116664041
N-[1-(3-chlorophenyl)ethyl]-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide
CID 142966340
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 27769378
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 26908057
4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 106347696
N-[(1R)-1-(3-chlorophenyl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 25488173
4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65355933
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38919428
4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116669218
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide
CID 102705159

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide (CID 116663930) is 4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide is CC(NC(=O)c1sc(N(C)C)nc1N)c1cccc(Cl)c1.
What is the InChIKey of 4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is QXTLSJWENVWMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-8(9-5-4-6-10(15)7-9)17-13(20)11-12(16)18-14(21-11)19(2)3/h4-8H,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 324.84 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).