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

C15H26N2S — CID 107449620

IUPACN-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCCNC1(c2nc(C)cs2)CCCC(C(C)C)C1
InChIInChI=1S/C15H26N2S/c1-5-16-15(14-17-12(4)10-18-14)8-6-7-13(9-15)11(2)3/h10-11,13,16H,5-9H2,1-4H3
InChIKeyLBGMQCDMTZFOOT-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.10
Rot. Bonds4

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

N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107449620) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID107449620
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCCNC1(c2nc(C)cs2)CCCC(C(C)C)C1
InChIInChI=1S/C15H26N2S/c1-5-16-15(14-17-12(4)10-18-14)8-6-7-13(9-15)11(2)3/h10-11,13,16H,5-9H2,1-4H3
InChIKeyLBGMQCDMTZFOOT-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine (CID 107449620) is N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine is CCNC1(c2nc(C)cs2)CCCC(C(C)C)C1.
What is the InChIKey of N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is LBGMQCDMTZFOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-5-16-15(14-17-12(4)10-18-14)8-6-7-13(9-15)11(2)3/h10-11,13,16H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine?
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107449620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).