N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide

C17H11N3OS2 — CID 2881332

IUPACN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)c1cccc2ccccc12
InChIInChI=1S/C17H11N3OS2/c21-15(13-8-3-6-11-5-1-2-7-12(11)13)18-17-20-19-16(23-17)14-9-4-10-22-14/h1-10H,(H,18,20,21)
InChIKeyIFBKSVANZFZZRH-UHFFFAOYSA-N
MW337.43 g/mol
LogP4.67
Rot. Bonds3

About N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide

N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide (PubChem CID 2881332) has the molecular formula C17H11N3OS2 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide
PubChem CID2881332
Molecular FormulaC17H11N3OS2
Molecular Weight337.43 g/mol
Exact Mass337.03
IUPAC NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)c1cccc2ccccc12
InChIInChI=1S/C17H11N3OS2/c21-15(13-8-3-6-11-5-1-2-7-12(11)13)18-17-20-19-16(23-17)14-9-4-10-22-14/h1-10H,(H,18,20,21)
InChIKeyIFBKSVANZFZZRH-UHFFFAOYSA-N
XLogP4.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
CID 23966330
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide
CID 1224004
N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5066416
2,2-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 1080990
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 108766428
N-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
CID 44957677
2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 108744057
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
2-chloroethyl N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)carbamate
CID 108744063
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 108766306

Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide (CID 2881332) is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide is O=C(Nc1nnc(-c2cccs2)s1)c1cccc2ccccc12.
What is the InChIKey of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide?
The InChIKey is IFBKSVANZFZZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS2/c21-15(13-8-3-6-11-5-1-2-7-12(11)13)18-17-20-19-16(23-17)14-9-4-10-22-14/h1-10H,(H,18,20,21).
What are the key properties of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide?
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 2881332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).