3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

C12H21N3S — CID 65268822

IUPAC3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC1CCCC(c2nsc(NC(C)C)n2)C1
InChIInChI=1S/C12H21N3S/c1-8(2)13-12-14-11(15-16-12)10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyXKCRSGFVDQKWFA-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.65
Rot. Bonds3

About 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268822) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268822
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC1CCCC(c2nsc(NC(C)C)n2)C1
InChIInChI=1S/C12H21N3S/c1-8(2)13-12-14-11(15-16-12)10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyXKCRSGFVDQKWFA-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65268822) is 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CC1CCCC(c2nsc(NC(C)C)n2)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is XKCRSGFVDQKWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8(2)13-12-14-11(15-16-12)10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 239.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).