(3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide

C20H17N3OS — CID 125123997

IUPAC(3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(C[C@@H](c1cccc2ccccc12)n1cccc1)Nc1nccs1
InChIInChI=1S/C20H17N3OS/c24-19(22-20-21-10-13-25-20)14-18(23-11-3-4-12-23)17-9-5-7-15-6-1-2-8-16(15)17/h1-13,18H,14H2,(H,21,22,24)/t18-/m0/s1
InChIKeyROJZPDCJVICDQX-SFHVURJKSA-N
MW347.44 g/mol
LogP4.72
Rot. Bonds5

About (3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide

(3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 125123997) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is (3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID125123997
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name(3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(C[C@@H](c1cccc2ccccc12)n1cccc1)Nc1nccs1
InChIInChI=1S/C20H17N3OS/c24-19(22-20-21-10-13-25-20)14-18(23-11-3-4-12-23)17-9-5-7-15-6-1-2-8-16(15)17/h1-13,18H,14H2,(H,21,22,24)/t18-/m0/s1
InChIKeyROJZPDCJVICDQX-SFHVURJKSA-N
XLogP4.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
CID 125124269
N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 86936286
(3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
CID 125123430
methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate
CID 125124293
N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 41454681
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 54774894
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
(3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide
CID 125124170
2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 124530772
(3S)-3-naphthalen-1-yl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3-pyrrol-1-ylpropanamide
CID 125123917
2-naphthalen-1-yl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 4113038
N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide
CID 23964431

Frequently Asked Questions

What is the IUPAC name of (3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide (CID 125123997) is (3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide is O=C(C[C@@H](c1cccc2ccccc12)n1cccc1)Nc1nccs1.
What is the InChIKey of (3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is ROJZPDCJVICDQX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-19(22-20-21-10-13-25-20)14-18(23-11-3-4-12-23)17-9-5-7-15-6-1-2-8-16(15)17/h1-13,18H,14H2,(H,21,22,24)/t18-/m0/s1.
What are the key properties of (3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide?
(3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 125123997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).