N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine

C13H22N2S2 — CID 62577060

IUPACN-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
SMILESCc1csc(SCCNCC2CCCCC2)n1
InChIInChI=1S/C13H22N2S2/c1-11-10-17-13(15-11)16-8-7-14-9-12-5-3-2-4-6-12/h10,12,14H,2-9H2,1H3
InChIKeyPWGNFIUXRYDAIA-UHFFFAOYSA-N
MW270.47 g/mol
LogP3.71
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine

N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine (PubChem CID 62577060) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
PubChem CID62577060
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC NameN-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
SMILESCc1csc(SCCNCC2CCCCC2)n1
InChIInChI=1S/C13H22N2S2/c1-11-10-17-13(15-11)16-8-7-14-9-12-5-3-2-4-6-12/h10,12,14H,2-9H2,1H3
InChIKeyPWGNFIUXRYDAIA-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 62577881
N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102925969
N-(cyclopentylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65040982
N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine
CID 62577678
N-[1-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 104755425
2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine
CID 79577014
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide
CID 63582849
O-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]hydroxylamine
CID 131223188
1-(azepan-1-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one
CID 4005954
N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028146
1-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]cyclopentan-1-ol
CID 65213237
N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine
CID 63381588

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine (CID 62577060) is N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine is Cc1csc(SCCNCC2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is PWGNFIUXRYDAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-11-10-17-13(15-11)16-8-7-14-9-12-5-3-2-4-6-12/h10,12,14H,2-9H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 270.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 62577060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).