N-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine

C11H19N2S+ — CID 2725498

IUPACN-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine
SMILESCc1csc(NC2CCCCC2)[n+]1C
InChIInChI=1S/C11H18N2S/c1-9-8-14-11(13(9)2)12-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3/p+1
InChIKeyLRUXRAZFPNIXHK-UHFFFAOYSA-O
MW211.35 g/mol
LogP2.63
Rot. Bonds2

About N-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine

N-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine (PubChem CID 2725498) has the molecular formula C11H19N2S+ and a molecular weight of 211.35 g/mol. Its IUPAC name is N-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine
PubChem CID2725498
Molecular FormulaC11H19N2S+
Molecular Weight211.35 g/mol
Exact Mass211.13
IUPAC NameN-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine
SMILESCc1csc(NC2CCCCC2)[n+]1C
InChIInChI=1S/C11H18N2S/c1-9-8-14-11(13(9)2)12-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3/p+1
InChIKeyLRUXRAZFPNIXHK-UHFFFAOYSA-O
XLogP2.63
TPSA15.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(6,6-dimethyl-5,7-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate
CID 46926547
4-methyl-N-(propan-2-yl)-1,3-thiazol-2-amine
CID 841733
N-cyclopropyl-4-methyl-1,3-thiazol-2-amine
CID 21803358
2-Methyl-1-(4-methyl-1,3-thiazol-2-yl)piperazine
CID 54592591
N-(4-methyl-1,3-thiazol-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 2317865
N-ethyl-4-methyl-1,3-thiazol-2-amine
CID 23074121
2-Isopropylamino-4-ethylthiazole
CID 58336980
N-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine
CID 150145792
N-decyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 151675650
N-Cyclohexyl-4-propyl-1,3-thiazol-2-amine
CID 13211360
2-Cyclohexylamino-4-ethylthiazole
CID 62961357
2-s-Butylamino-4-ethylthiazole
CID 62961359

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine?
The IUPAC name of N-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine (CID 2725498) is N-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine.
What is the SMILES notation for N-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine?
The canonical SMILES for N-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine is Cc1csc(NC2CCCCC2)[n+]1C.
What is the InChIKey of N-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine?
The InChIKey is LRUXRAZFPNIXHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H18N2S/c1-9-8-14-11(13(9)2)12-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3/p+1.
What are the key properties of N-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine?
N-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,4-dimethyl-1,3-thiazol-3-ium-2-amine is sourced from PubChem (CID 2725498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).