5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine

C13H14ClN3S — CID 6502471

IUPAC5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine
SMILESClc1ccc(-c2nnc(NC3CCCC3)s2)cc1
InChIInChI=1S/C13H14ClN3S/c14-10-7-5-9(6-8-10)12-16-17-13(18-12)15-11-3-1-2-4-11/h5-8,11H,1-4H2,(H,15,17)
InChIKeyLPADVXMBXWPBSK-UHFFFAOYSA-N
MW279.80 g/mol
LogP4.21
Rot. Bonds3

About 5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine

5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine (PubChem CID 6502471) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine
PubChem CID6502471
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine
SMILESClc1ccc(-c2nnc(NC3CCCC3)s2)cc1
InChIInChI=1S/C13H14ClN3S/c14-10-7-5-9(6-8-10)12-16-17-13(18-12)15-11-3-1-2-4-11/h5-8,11H,1-4H2,(H,15,17)
InChIKeyLPADVXMBXWPBSK-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 99635970
1-[4-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3-methylthiourea
CID 25197356
N-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 67326802
1-[4-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3-(4-methoxyphenyl)thiourea
CID 25197490
5-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 21330908
2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 133494818
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 42757558
4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol
CID 167988296
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine
CID 82477350
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylcyclobutanecarboxamide
CID 1444891
3-(4-chlorophenyl)-N-cyclohexylisoquinolin-1-amine
CID 53475014

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine (CID 6502471) is 5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine is Clc1ccc(-c2nnc(NC3CCCC3)s2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine?
The InChIKey is LPADVXMBXWPBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c14-10-7-5-9(6-8-10)12-16-17-13(18-12)15-11-3-1-2-4-11/h5-8,11H,1-4H2,(H,15,17).
What are the key properties of 5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine?
5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine has a molecular weight of 279.80 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6502471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).