N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide

C18H20ClN3OS — CID 1444891

IUPACN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide
SMILESO=C(C1CCC1)N(c1nnc(-c2ccc(Cl)cc2)s1)C1CCCC1
InChIInChI=1S/C18H20ClN3OS/c19-14-10-8-12(9-11-14)16-20-21-18(24-16)22(15-6-1-2-7-15)17(23)13-4-3-5-13/h8-11,13,15H,1-7H2
InChIKeyVCOKUJUWRMBTPL-UHFFFAOYSA-N
MW361.90 g/mol
LogP4.93
Rot. Bonds4

About N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide (PubChem CID 1444891) has the molecular formula C18H20ClN3OS and a molecular weight of 361.90 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide
PubChem CID1444891
Molecular FormulaC18H20ClN3OS
Molecular Weight361.90 g/mol
Exact Mass361.10
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide
SMILESO=C(C1CCC1)N(c1nnc(-c2ccc(Cl)cc2)s1)C1CCCC1
InChIInChI=1S/C18H20ClN3OS/c19-14-10-8-12(9-11-14)16-20-21-18(24-16)22(15-6-1-2-7-15)17(23)13-4-3-5-13/h8-11,13,15H,1-7H2
InChIKeyVCOKUJUWRMBTPL-UHFFFAOYSA-N
XLogP4.93
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 99635970
N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 1451556
2-(4-chlorophenoxy)-N-cyclopentyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1444906
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide
CID 108741966
N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 3498004
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide
CID 1175967
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylpyridine-2-carboxamide
CID 1451649
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropanamide
CID 1451659
1-(4-chlorophenyl)-1-cyclohexylurea
CID 68800466
5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine
CID 6502471
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 42757558
4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 43811421

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide (CID 1444891) is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide is O=C(C1CCC1)N(c1nnc(-c2ccc(Cl)cc2)s1)C1CCCC1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide?
The InChIKey is VCOKUJUWRMBTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3OS/c19-14-10-8-12(9-11-14)16-20-21-18(24-16)22(15-6-1-2-7-15)17(23)13-4-3-5-13/h8-11,13,15H,1-7H2.
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide?
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide has a molecular weight of 361.90 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide is sourced from PubChem (CID 1444891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).