5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide

C12H18ClN3OS — CID 80619458

IUPAC5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)CN(C(=O)c1nnc(Cl)s1)C1CCCC1
InChIInChI=1S/C12H18ClN3OS/c1-8(2)7-16(9-5-3-4-6-9)11(17)10-14-15-12(13)18-10/h8-9H,3-7H2,1-2H3
InChIKeySJANCIQQLRNEAX-UHFFFAOYSA-N
MW287.82 g/mol
LogP3.23
Rot. Bonds4

About 5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619458) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619458
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)CN(C(=O)c1nnc(Cl)s1)C1CCCC1
InChIInChI=1S/C12H18ClN3OS/c1-8(2)7-16(9-5-3-4-6-9)11(17)10-14-15-12(13)18-10/h8-9H,3-7H2,1-2H3
InChIKeySJANCIQQLRNEAX-UHFFFAOYSA-N
XLogP3.23
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625287
5-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113221746
5-chloro-N-cyclopentyl-2-hydroxy-N-(2-methylpropyl)benzamide
CID 112725805
5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 112725804
5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide
CID 112725800
3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113223704
5-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625384
N-cyclobutyl-N-(2-methylpropyl)acetamide
CID 143031247
5-chloro-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625955
3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide
CID 115930604
5-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625209
N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616794

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide (CID 80619458) is 5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide is CC(C)CN(C(=O)c1nnc(Cl)s1)C1CCCC1.
What is the InChIKey of 5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SJANCIQQLRNEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c1-8(2)7-16(9-5-3-4-6-9)11(17)10-14-15-12(13)18-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 287.82 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).