1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine

C18H30N2S — CID 64755800

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC2CC2)(c2nc(C(C)(C)C)cs2)C(C)C1
InChIInChI=1S/C18H30N2S/c1-12-8-9-18(13(2)10-12,20-14-6-7-14)16-19-15(11-21-16)17(3,4)5/h11-14,20H,6-10H2,1-5H3
InChIKeyJYKMQTRUJBZTAI-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.84
Rot. Bonds3

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine (PubChem CID 64755800) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine
PubChem CID64755800
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC2CC2)(c2nc(C(C)(C)C)cs2)C(C)C1
InChIInChI=1S/C18H30N2S/c1-12-8-9-18(13(2)10-12,20-14-6-7-14)16-19-15(11-21-16)17(3,4)5/h11-14,20H,6-10H2,1-5H3
InChIKeyJYKMQTRUJBZTAI-UHFFFAOYSA-N
XLogP4.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine (CID 64755800) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine is CC1CCC(NC2CC2)(c2nc(C(C)(C)C)cs2)C(C)C1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine?
The InChIKey is JYKMQTRUJBZTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-12-8-9-18(13(2)10-12,20-14-6-7-14)16-19-15(11-21-16)17(3,4)5/h11-14,20H,6-10H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine has a molecular weight of 306.52 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64755800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).