3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine

C9H14ClN3S — CID 70148079

IUPAC3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCN(CC1CC1)c1nc(Cl)ns1
InChIInChI=1S/C9H14ClN3S/c1-2-5-13(6-7-3-4-7)9-11-8(10)12-14-9/h7H,2-6H2,1H3
InChIKeyXRGXZJIGLHNWQH-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.82
Rot. Bonds5

About 3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine

3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 70148079) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID70148079
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCN(CC1CC1)c1nc(Cl)ns1
InChIInChI=1S/C9H14ClN3S/c1-2-5-13(6-7-3-4-7)9-11-8(10)12-14-9/h7H,2-6H2,1H3
InChIKeyXRGXZJIGLHNWQH-UHFFFAOYSA-N
XLogP2.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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 3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 70148079) is 3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCN(CC1CC1)c1nc(Cl)ns1.
What is the InChIKey of 3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is XRGXZJIGLHNWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-2-5-13(6-7-3-4-7)9-11-8(10)12-14-9/h7H,2-6H2,1H3.
What are the key properties of 3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 231.75 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 70148079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).