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

C16H28N2OS — CID 116778078

IUPACN-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nc(C2(OC)CCCCC2)sc1CNC(C)C
InChIInChI=1S/C16H28N2OS/c1-5-13-14(11-17-12(2)3)20-15(18-13)16(19-4)9-7-6-8-10-16/h12,17H,5-11H2,1-4H3
InChIKeyPCMZIULRNDFSQP-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.01
Rot. Bonds6

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

N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 116778078) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID116778078
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nc(C2(OC)CCCCC2)sc1CNC(C)C
InChIInChI=1S/C16H28N2OS/c1-5-13-14(11-17-12(2)3)20-15(18-13)16(19-4)9-7-6-8-10-16/h12,17H,5-11H2,1-4H3
InChIKeyPCMZIULRNDFSQP-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-ethyl-2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730759
N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363814
N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366222
1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116778029
1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364760
1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363491
N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116777889
[2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362057
N-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364205
N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841630
[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361700
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104611824

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 116778078) is N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCc1nc(C2(OC)CCCCC2)sc1CNC(C)C.
What is the InChIKey of N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is PCMZIULRNDFSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-5-13-14(11-17-12(2)3)20-15(18-13)16(19-4)9-7-6-8-10-16/h12,17H,5-11H2,1-4H3.
What are the key properties of N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 296.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 116778078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).