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

C14H14ClN3OS — CID 99635970

IUPACN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCCC1
InChIInChI=1S/C14H14ClN3OS/c15-11-7-5-10(6-8-11)13-17-18-14(20-13)16-12(19)9-3-1-2-4-9/h5-9H,1-4H2,(H,16,18,19)
InChIKeyXXLGKBUXQCWBHV-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.99
Rot. Bonds3

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

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide (PubChem CID 99635970) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
PubChem CID99635970
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCCC1
InChIInChI=1S/C14H14ClN3OS/c15-11-7-5-10(6-8-11)13-17-18-14(20-13)16-12(19)9-3-1-2-4-9/h5-9H,1-4H2,(H,16,18,19)
InChIKeyXXLGKBUXQCWBHV-UHFFFAOYSA-N
XLogP3.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 42757558
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide
CID 1451435
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 133210869
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 4142881
5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine
CID 6502471
N-[1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 42757519
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 100753567
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 108766306
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide
CID 1444891
N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 42737473
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176866
2-(4-chlorophenyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100533988

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide (CID 99635970) is N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide is O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCCC1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is XXLGKBUXQCWBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-11-7-5-10(6-8-11)13-17-18-14(20-13)16-12(19)9-3-1-2-4-9/h5-9H,1-4H2,(H,16,18,19).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide?
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 307.81 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 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]cyclopentanecarboxamide is sourced from PubChem (CID 99635970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).