N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine

C14H25N3S — CID 65273710

IUPACN-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCC2CCCC(C)C2)n1
InChIInChI=1S/C14H25N3S/c1-3-5-13-16-14(18-17-13)15-9-8-12-7-4-6-11(2)10-12/h11-12H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyTUHOBSNZZCYMAU-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.12
Rot. Bonds6

About N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine

N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65273710) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65273710
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCC2CCCC(C)C2)n1
InChIInChI=1S/C14H25N3S/c1-3-5-13-16-14(18-17-13)15-9-8-12-7-4-6-11(2)10-12/h11-12H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyTUHOBSNZZCYMAU-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine (CID 65273710) is N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCCC2CCCC(C)C2)n1.
What is the InChIKey of N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is TUHOBSNZZCYMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-5-13-16-14(18-17-13)15-9-8-12-7-4-6-11(2)10-12/h11-12H,3-10H2,1-2H3,(H,15,16,17).
What are the key properties of N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 267.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).