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

C16H28N2S2 — CID 65144559

IUPACN-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(CSC2CCCCC2)sc1CNCC(C)C
InChIInChI=1S/C16H28N2S2/c1-12(2)9-17-10-15-13(3)18-16(20-15)11-19-14-7-5-4-6-8-14/h12,14,17H,4-11H2,1-3H3
InChIKeyUVJZLZGHEYXECG-UHFFFAOYSA-N
MW312.55 g/mol
LogP4.76
Rot. Bonds7

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

N-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65144559) has the molecular formula C16H28N2S2 and a molecular weight of 312.55 g/mol. Its IUPAC name is N-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID65144559
Molecular FormulaC16H28N2S2
Molecular Weight312.55 g/mol
Exact Mass312.17
IUPAC NameN-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(CSC2CCCCC2)sc1CNCC(C)C
InChIInChI=1S/C16H28N2S2/c1-12(2)9-17-10-15-13(3)18-16(20-15)11-19-14-7-5-4-6-8-14/h12,14,17H,4-11H2,1-3H3
InChIKeyUVJZLZGHEYXECG-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
[2-(cyclohexylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434438
N-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841683
2-methyl-N-[[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427509
2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427637
2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427485
N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767601
1-[4-tert-butyl-2-(cyclohexylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362326
N-[[2-(cyclopentylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841548
N-[[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82436752
1-[2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367056

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 65144559) is N-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is Cc1nc(CSC2CCCCC2)sc1CNCC(C)C.
What is the InChIKey of N-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is UVJZLZGHEYXECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S2/c1-12(2)9-17-10-15-13(3)18-16(20-15)11-19-14-7-5-4-6-8-14/h12,14,17H,4-11H2,1-3H3.
What are the key properties of N-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 312.55 g/mol, XLogP of 4.76, 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-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65144559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).