4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine

C9H14ClN3S — CID 63656568

IUPAC4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCN(CC1CCCC1)c1nsnc1Cl
InChIInChI=1S/C9H14ClN3S/c1-13(6-7-4-2-3-5-7)9-8(10)11-14-12-9/h7H,2-6H2,1H3
InChIKeyQQDDWPIWHFUGAZ-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.82
Rot. Bonds3

About 4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine

4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine (PubChem CID 63656568) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
PubChem CID63656568
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCN(CC1CCCC1)c1nsnc1Cl
InChIInChI=1S/C9H14ClN3S/c1-13(6-7-4-2-3-5-7)9-8(10)11-14-12-9/h7H,2-6H2,1H3
InChIKeyQQDDWPIWHFUGAZ-UHFFFAOYSA-N
XLogP2.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine (CID 63656568) is 4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine is CN(CC1CCCC1)c1nsnc1Cl.
What is the InChIKey of 4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The InChIKey is QQDDWPIWHFUGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-13(6-7-4-2-3-5-7)9-8(10)11-14-12-9/h7H,2-6H2,1H3.
What are the key properties of 4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine has a molecular weight of 231.75 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopentylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 63656568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).