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

C16H28N2S2 — CID 104841683

IUPACN-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nc(CSC2CCCCC2)sc1CNC(C)C
InChIInChI=1S/C16H28N2S2/c1-4-14-15(10-17-12(2)3)20-16(18-14)11-19-13-8-6-5-7-9-13/h12-13,17H,4-11H2,1-3H3
InChIKeyGTPVSTHMNKFRQF-UHFFFAOYSA-N
MW312.55 g/mol
LogP4.77
Rot. Bonds7

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

N-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 104841683) has the molecular formula C16H28N2S2 and a molecular weight of 312.55 g/mol. Its IUPAC name is N-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID104841683
Molecular FormulaC16H28N2S2
Molecular Weight312.55 g/mol
Exact Mass312.17
IUPAC NameN-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nc(CSC2CCCCC2)sc1CNC(C)C
InChIInChI=1S/C16H28N2S2/c1-4-14-15(10-17-12(2)3)20-16(18-14)11-19-13-8-6-5-7-9-13/h12-13,17H,4-11H2,1-3H3
InChIKeyGTPVSTHMNKFRQF-UHFFFAOYSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(cyclopentylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841548
N-[[2-(cyclopentylsulfanylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368770
1-[2-(cyclohexylsulfanylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368209
N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429278
[2-(cyclohexylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434438
N-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65144559
1-[4-tert-butyl-2-(cyclohexylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362326
N-[[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82430524
1-[2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367056
N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764650
N-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841600

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 104841683) is N-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine is CCc1nc(CSC2CCCCC2)sc1CNC(C)C.
What is the InChIKey of N-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is GTPVSTHMNKFRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S2/c1-4-14-15(10-17-12(2)3)20-16(18-14)11-19-13-8-6-5-7-9-13/h12-13,17H,4-11H2,1-3H3.
What are the key properties of N-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 312.55 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 104841683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).