N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine

C17H22N2S2 — CID 64627513

IUPACN-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCC(c2ccccc2)CC1Sc1nccs1
InChIInChI=1S/C17H22N2S2/c1-2-18-15-9-8-14(13-6-4-3-5-7-13)12-16(15)21-17-19-10-11-20-17/h3-7,10-11,14-16,18H,2,8-9,12H2,1H3
InChIKeyAAZKXVJOPSEXNS-UHFFFAOYSA-N
MW318.51 g/mol
LogP4.55
Rot. Bonds5

About N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine

N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine (PubChem CID 64627513) has the molecular formula C17H22N2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
PubChem CID64627513
Molecular FormulaC17H22N2S2
Molecular Weight318.51 g/mol
Exact Mass318.12
IUPAC NameN-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCC(c2ccccc2)CC1Sc1nccs1
InChIInChI=1S/C17H22N2S2/c1-2-18-15-9-8-14(13-6-4-3-5-7-13)12-16(15)21-17-19-10-11-20-17/h3-7,10-11,14-16,18H,2,8-9,12H2,1H3
InChIKeyAAZKXVJOPSEXNS-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64626698
N-ethyl-2-(3-methoxypropylsulfanyl)-4-phenylcyclohexan-1-amine
CID 64626468
N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64735197
N-ethyl-4-phenyl-2-propylcyclohexan-1-amine
CID 55185589
N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64648516
N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine
CID 64620754
4-phenyl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64633246
N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64650286
N-methyl-4-propan-2-yl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64626309
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-tert-butyl-N-ethylcyclohexan-1-amine
CID 64631848
4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64627899
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine
CID 64629453

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine (CID 64627513) is N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine is CCNC1CCC(c2ccccc2)CC1Sc1nccs1.
What is the InChIKey of N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is AAZKXVJOPSEXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S2/c1-2-18-15-9-8-14(13-6-4-3-5-7-13)12-16(15)21-17-19-10-11-20-17/h3-7,10-11,14-16,18H,2,8-9,12H2,1H3.
What are the key properties of N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 318.51 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 64627513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).