N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine

C11H18N2S2 — CID 83196309

IUPACN-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine
SMILESCCNC1CSCC1Cc1csc(C)n1
InChIInChI=1S/C11H18N2S2/c1-3-12-11-7-14-5-9(11)4-10-6-15-8(2)13-10/h6,9,11-12H,3-5,7H2,1-2H3
InChIKeyODGBRTUSBJWLLP-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.34
Rot. Bonds4

About N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine

N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine (PubChem CID 83196309) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine
PubChem CID83196309
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC NameN-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine
SMILESCCNC1CSCC1Cc1csc(C)n1
InChIInChI=1S/C11H18N2S2/c1-3-12-11-7-14-5-9(11)4-10-6-15-8(2)13-10/h6,9,11-12H,3-5,7H2,1-2H3
InChIKeyODGBRTUSBJWLLP-UHFFFAOYSA-N
XLogP2.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine
CID 81025022
N-[[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031760
N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55107201
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine
CID 83196510
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
CID 174858890
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
CID 83197030
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 83262106
N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine
CID 79590603
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 60961514

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine?
The IUPAC name of N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine (CID 83196309) is N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine.
What is the SMILES notation for N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine?
The canonical SMILES for N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine is CCNC1CSCC1Cc1csc(C)n1.
What is the InChIKey of N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine?
The InChIKey is ODGBRTUSBJWLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-3-12-11-7-14-5-9(11)4-10-6-15-8(2)13-10/h6,9,11-12H,3-5,7H2,1-2H3.
What are the key properties of N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine?
N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine has a molecular weight of 242.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 83196309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).