N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine

C11H16N2S — CID 60658905

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESC1=C(CCNc2nccs2)CCCC1
InChIInChI=1S/C11H16N2S/c1-2-4-10(5-3-1)6-7-12-11-13-8-9-14-11/h4,8-9H,1-3,5-7H2,(H,12,13)
InChIKeyVIANKAVADPKPBS-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.45
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine

N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 60658905) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID60658905
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESC1=C(CCNc2nccs2)CCCC1
InChIInChI=1S/C11H16N2S/c1-2-4-10(5-3-1)6-7-12-11-13-8-9-14-11/h4,8-9H,1-3,5-7H2,(H,12,13)
InChIKeyVIANKAVADPKPBS-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-1,3-thiazol-2-amine
CID 106177509
N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 60659943
3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile
CID 55110800
N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62663409
N-(2-cyclopentyloxyethyl)-1,3-thiazol-2-amine
CID 60965150
N-[2-(cyclohexen-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914322
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 29276059
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 112854487
4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine
CID 19137103
N-(2-cyclohexyloxyethyl)-1,3-thiazol-2-amine
CID 61063883
N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 20786153

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine (CID 60658905) is N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine is C1=C(CCNc2nccs2)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is VIANKAVADPKPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-2-4-10(5-3-1)6-7-12-11-13-8-9-14-11/h4,8-9H,1-3,5-7H2,(H,12,13).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine?
N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 208.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 60658905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).