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

C16H28N2S — CID 61333258

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCCc1nc(C2(NC(C)C)CCC(C)CC2)sc1C
InChIInChI=1S/C16H28N2S/c1-6-14-13(5)19-15(17-14)16(18-11(2)3)9-7-12(4)8-10-16/h11-12,18H,6-10H2,1-5H3
InChIKeyPAEZYOMCJWVQBS-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.42
Rot. Bonds4

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

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 61333258) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID61333258
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCCc1nc(C2(NC(C)C)CCC(C)CC2)sc1C
InChIInChI=1S/C16H28N2S/c1-6-14-13(5)19-15(17-14)16(18-11(2)3)9-7-12(4)8-10-16/h11-12,18H,6-10H2,1-5H3
InChIKeyPAEZYOMCJWVQBS-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclobutan-1-amine
CID 61334037
4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-yloxepan-4-amine
CID 65079472
3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
CID 62977359
1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine
CID 65078039
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 64515722
3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
CID 79947357
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429501
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61332758
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine
CID 61334626
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,4-dimethylcyclohexan-1-amine
CID 64746458
4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
CID 65084804
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2-dimethylcyclopentan-1-amine
CID 65044835

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine (CID 61333258) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine is CCc1nc(C2(NC(C)C)CCC(C)CC2)sc1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is PAEZYOMCJWVQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-6-14-13(5)19-15(17-14)16(18-11(2)3)9-7-12(4)8-10-16/h11-12,18H,6-10H2,1-5H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 61333258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).