3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine

C14H25N3S — CID 114095034

IUPAC3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCC1(CNc2nc(C(C)(C)C)ns2)CCCCC1
InChIInChI=1S/C14H25N3S/c1-13(2,3)11-16-12(18-17-11)15-10-14(4)8-6-5-7-9-14/h5-10H2,1-4H3,(H,15,16,17)
InChIKeyOAESKBJZZPNBAH-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.22
Rot. Bonds3

About 3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 114095034) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID114095034
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCC1(CNc2nc(C(C)(C)C)ns2)CCCCC1
InChIInChI=1S/C14H25N3S/c1-13(2,3)11-16-12(18-17-11)15-10-14(4)8-6-5-7-9-14/h5-10H2,1-4H3,(H,15,16,17)
InChIKeyOAESKBJZZPNBAH-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine (CID 114095034) is 3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine is CC1(CNc2nc(C(C)(C)C)ns2)CCCCC1.
What is the InChIKey of 3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is OAESKBJZZPNBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-13(2,3)11-16-12(18-17-11)15-10-14(4)8-6-5-7-9-14/h5-10H2,1-4H3,(H,15,16,17).
What are the key properties of 3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 267.44 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(1-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 114095034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).