2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide

C17H17N3OS — CID 4267746

IUPAC2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3OS/c1-2-10-18-16(21)15-11-22-17(20-15)19-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,2,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyDBADXOQEVUNXBR-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.18
Rot. Bonds5

About 2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide

2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 4267746) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID4267746
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3OS/c1-2-10-18-16(21)15-11-22-17(20-15)19-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,2,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyDBADXOQEVUNXBR-UHFFFAOYSA-N
XLogP4.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-isopropyl-N-(naphthalen-1-yl)thiazol-2-amine
CID 9814022
4-tert-butyl-N-(naphthalen-1-yl)thiazol-2-amine
CID 9814340
N-(naphthalen-1-yl)-4-neopentylthiazol-2-amine
CID 9922232
4-methyl-N-(naphthalen-1-yl)thiazol-2-amine
CID 692856
N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 3903218
{2-[(4-Methylphenyl)amino]-1,3-thiazol-4-yl}(4-methylpiperidin-1-yl)methanone
CID 1096815
4-((diisobutylamino)methyl)-N-(naphthalen-1-yl)thiazol-2-amine
CID 10133595
2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 10408130
4-((bis(cyclohexylmethyl)amino)methyl)-N-(naphthalen-1-yl)thiazol-2-amine
CID 11496063
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24955889
2-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24956256
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24956609

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide (CID 4267746) is 2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide is CCCNC(=O)c1csc(Nc2cccc3ccccc23)n1.
What is the InChIKey of 2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is DBADXOQEVUNXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-10-18-16(21)15-11-22-17(20-15)19-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,2,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide?
2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 4267746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).