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

C13H10N4OS3 — CID 18089607

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C13H10N4OS3/c18-10(15-13-17-16-12(21-13)7-1-2-7)9-6-20-11(14-9)8-3-4-19-5-8/h3-7H,1-2H2,(H,15,17,18)
InChIKeyULBHNAMUYLYASU-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.85
Rot. Bonds4

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 18089607) has the molecular formula C13H10N4OS3 and a molecular weight of 334.45 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID18089607
Molecular FormulaC13H10N4OS3
Molecular Weight334.45 g/mol
Exact Mass334.00
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C13H10N4OS3/c18-10(15-13-17-16-12(21-13)7-1-2-7)9-6-20-11(14-9)8-3-4-19-5-8/h3-7H,1-2H2,(H,15,17,18)
InChIKeyULBHNAMUYLYASU-UHFFFAOYSA-N
XLogP3.85
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51248246
N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 17458448
N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357379
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(cyclopentylamino)-1,3-thiazole-4-carboxamide
CID 52897913
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 17402298
N-(2-cyclopropyl-2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55170247
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36663738
N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55450782
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36662741
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 18089607) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(Nc1nnc(C2CC2)s1)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ULBHNAMUYLYASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS3/c18-10(15-13-17-16-12(21-13)7-1-2-7)9-6-20-11(14-9)8-3-4-19-5-8/h3-7H,1-2H2,(H,15,17,18).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18089607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).