2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole

C9H13ClN2S — CID 107183813

IUPAC2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole
SMILESCC1(C)CCCC1c1nnc(Cl)s1
InChIInChI=1S/C9H13ClN2S/c1-9(2)5-3-4-6(9)7-11-12-8(10)13-7/h6H,3-5H2,1-2H3
InChIKeyRFYPEABRUGNPCP-UHFFFAOYSA-N
MW216.74 g/mol
LogP3.49
Rot. Bonds1

About 2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole

2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole (PubChem CID 107183813) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is 2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole
PubChem CID107183813
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC Name2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole
SMILESCC1(C)CCCC1c1nnc(Cl)s1
InChIInChI=1S/C9H13ClN2S/c1-9(2)5-3-4-6(9)7-11-12-8(10)13-7/h6H,3-5H2,1-2H3
InChIKeyRFYPEABRUGNPCP-UHFFFAOYSA-N
XLogP3.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole
CID 107185456
N-[[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 107185554
2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 107185607
1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 107185578
1-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107185646
3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107185508
1-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 107185641
3-bromo-5-(2,2-dimethylcyclopentyl)-1,2,4-thiadiazole
CID 107195213
3-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 107185500
4-chloro-6-(2,2-dimethylcyclopentyl)-1,3,5-triazin-2-amine
CID 107186454
2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole
CID 107175983
6-(2,2-dimethylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 107176876

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole (CID 107183813) is 2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole is CC1(C)CCCC1c1nnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole?
The InChIKey is RFYPEABRUGNPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/c1-9(2)5-3-4-6(9)7-11-12-8(10)13-7/h6H,3-5H2,1-2H3.
What are the key properties of 2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole?
2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole has a molecular weight of 216.74 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole is sourced from PubChem (CID 107183813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).