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

C14H16ClN3OS — CID 62792897

IUPAC2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1sc(N)nc1C)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3OS/c1-3-11(9-5-4-6-10(15)7-9)18-13(19)12-8(2)17-14(16)20-12/h4-7,11H,3H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyZCESOHWKGXUWKU-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.57
Rot. Bonds4

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

2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 62792897) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID62792897
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1sc(N)nc1C)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3OS/c1-3-11(9-5-4-6-10(15)7-9)18-13(19)12-8(2)17-14(16)20-12/h4-7,11H,3H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyZCESOHWKGXUWKU-UHFFFAOYSA-N
XLogP3.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 81354288
2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide
CID 79796813
2-amino-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118763339
N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide
CID 115497155
2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55115157
2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide
CID 63110061
N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
CID 62511498
3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 62794621
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 62792897) is 2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide is CCC(NC(=O)c1sc(N)nc1C)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZCESOHWKGXUWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-3-11(9-5-4-6-10(15)7-9)18-13(19)12-8(2)17-14(16)20-12/h4-7,11H,3H2,1-2H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62792897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).