N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine

C16H28N2S — CID 61059456

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(C)c2sc(C)nc2C)CC1
InChIInChI=1S/C16H28N2S/c1-5-6-14-7-9-15(10-8-14)18-12(3)16-11(2)17-13(4)19-16/h12,14-15,18H,5-10H2,1-4H3
InChIKeyAOXSGLZADNTHJO-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.77
Rot. Bonds5

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine (PubChem CID 61059456) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine
PubChem CID61059456
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(C)c2sc(C)nc2C)CC1
InChIInChI=1S/C16H28N2S/c1-5-6-14-7-9-15(10-8-14)18-12(3)16-11(2)17-13(4)19-16/h12,14-15,18H,5-10H2,1-4H3
InChIKeyAOXSGLZADNTHJO-UHFFFAOYSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine
CID 61059148
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091070
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine
CID 54981247
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61192995
5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one
CID 55241371
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121342
4-propyl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 63454289
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 61192512
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531995
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115711165
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-propylcyclohexan-1-amine
CID 43435522

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine (CID 61059456) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NC(C)c2sc(C)nc2C)CC1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine?
The InChIKey is AOXSGLZADNTHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-6-14-7-9-15(10-8-14)18-12(3)16-11(2)17-13(4)19-16/h12,14-15,18H,5-10H2,1-4H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 61059456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).