5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide

C11H10ClN3O2S2 — CID 2814043

IUPAC5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide
SMILESCOc1c(C(=O)Nc2nnc(C3CC3)s2)csc1Cl
InChIInChI=1S/C11H10ClN3O2S2/c1-17-7-6(4-18-8(7)12)9(16)13-11-15-14-10(19-11)5-2-3-5/h4-5H,2-3H2,1H3,(H,13,15,16)
InChIKeyPNDTYUXKRXUUIH-UHFFFAOYSA-N
MW315.81 g/mol
LogP3.39
Rot. Bonds4

About 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide

5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide (PubChem CID 2814043) has the molecular formula C11H10ClN3O2S2 and a molecular weight of 315.81 g/mol. Its IUPAC name is 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide
PubChem CID2814043
Molecular FormulaC11H10ClN3O2S2
Molecular Weight315.81 g/mol
Exact Mass314.99
IUPAC Name5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide
SMILESCOc1c(C(=O)Nc2nnc(C3CC3)s2)csc1Cl
InChIInChI=1S/C11H10ClN3O2S2/c1-17-7-6(4-18-8(7)12)9(16)13-11-15-14-10(19-11)5-2-3-5/h4-5H,2-3H2,1H3,(H,13,15,16)
InChIKeyPNDTYUXKRXUUIH-UHFFFAOYSA-N
XLogP3.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 18075073
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 8503017
2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 86962950
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
CID 167979514
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19229187
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 29412076
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide
CID 86881719
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 18077911

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide?
The IUPAC name of 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide (CID 2814043) is 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide?
The canonical SMILES for 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide is COc1c(C(=O)Nc2nnc(C3CC3)s2)csc1Cl.
What is the InChIKey of 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide?
The InChIKey is PNDTYUXKRXUUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S2/c1-17-7-6(4-18-8(7)12)9(16)13-11-15-14-10(19-11)5-2-3-5/h4-5H,2-3H2,1H3,(H,13,15,16).
What are the key properties of 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide?
5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide has a molecular weight of 315.81 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methoxythiophene-3-carboxamide is sourced from PubChem (CID 2814043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).