1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine

C16H28N2S — CID 61334626

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine
SMILESCCC1CCC(NC(C)C)(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C16H28N2S/c1-6-14-7-9-16(10-8-14,18-11(2)3)15-17-12(4)13(5)19-15/h11,14,18H,6-10H2,1-5H3
InChIKeyYJIZFCBRRFYYGT-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.55
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 61334626) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID61334626
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine
SMILESCCC1CCC(NC(C)C)(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C16H28N2S/c1-6-14-7-9-16(10-8-14,18-11(2)3)15-17-12(4)13(5)19-15/h11,14,18H,6-10H2,1-5H3
InChIKeyYJIZFCBRRFYYGT-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine (CID 61334626) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine is CCC1CCC(NC(C)C)(c2nc(C)c(C)s2)CC1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is YJIZFCBRRFYYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-6-14-7-9-16(10-8-14,18-11(2)3)15-17-12(4)13(5)19-15/h11,14,18H,6-10H2,1-5H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 61334626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).