(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide

C20H18N4OS — CID 125124269

IUPAC(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
SMILESCc1nnc(NC(=O)C[C@@H](c2cccc3ccccc23)n2cccc2)s1
InChIInChI=1S/C20H18N4OS/c1-14-22-23-20(26-14)21-19(25)13-18(24-11-4-5-12-24)17-10-6-8-15-7-2-3-9-16(15)17/h2-12,18H,13H2,1H3,(H,21,23,25)/t18-/m0/s1
InChIKeyZHTMXQRFADPDPF-SFHVURJKSA-N
MW362.46 g/mol
LogP4.42
Rot. Bonds5

About (3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide

(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide (PubChem CID 125124269) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is (3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
PubChem CID125124269
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
SMILESCc1nnc(NC(=O)C[C@@H](c2cccc3ccccc23)n2cccc2)s1
InChIInChI=1S/C20H18N4OS/c1-14-22-23-20(26-14)21-19(25)13-18(24-11-4-5-12-24)17-10-6-8-15-7-2-3-9-16(15)17/h2-12,18H,13H2,1H3,(H,21,23,25)/t18-/m0/s1
InChIKeyZHTMXQRFADPDPF-SFHVURJKSA-N
XLogP4.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 125123997
methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate
CID 125124293
(3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide
CID 125124170
(3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
CID 125123430
(3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
CID 125123868
N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
CID 5055524
2-(2-methylindol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17460159
(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide
CID 17455354
3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 46342926
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrazol-1-ylacetamide
CID 39723877
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963487
(3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 92709799

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide (CID 125124269) is (3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide is Cc1nnc(NC(=O)C[C@@H](c2cccc3ccccc23)n2cccc2)s1.
What is the InChIKey of (3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide?
The InChIKey is ZHTMXQRFADPDPF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-14-22-23-20(26-14)21-19(25)13-18(24-11-4-5-12-24)17-10-6-8-15-7-2-3-9-16(15)17/h2-12,18H,13H2,1H3,(H,21,23,25)/t18-/m0/s1.
What are the key properties of (3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide?
(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide has a molecular weight of 362.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 125124269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).