N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine

C11H18N2S2 — CID 80621547

IUPACN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)C1CCCS1
InChIInChI=1S/C11H18N2S2/c1-8-13-9(7-15-8)6-10(12-2)11-4-3-5-14-11/h7,10-12H,3-6H2,1-2H3
InChIKeyPPQHINXJLHEVRB-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.48
Rot. Bonds4

About N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine

N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine (PubChem CID 80621547) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine
PubChem CID80621547
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)C1CCCS1
InChIInChI=1S/C11H18N2S2/c1-8-13-9(7-15-8)6-10(12-2)11-4-3-5-14-11/h7,10-12H,3-6H2,1-2H3
InChIKeyPPQHINXJLHEVRB-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105204440
1-(1,1-dioxothian-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997133
N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine
CID 80621899
N-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 79966820
N-methyl-1-(thiolan-2-yl)butan-1-amine
CID 80621526
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 80622026
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thian-2-yl)ethanamine
CID 80626578
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 79088688
N-[1-(2-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 63863655
N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine
CID 104736655
N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
CID 80622951
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 113470323

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine (CID 80621547) is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine is CNC(Cc1csc(C)n1)C1CCCS1.
What is the InChIKey of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine?
The InChIKey is PPQHINXJLHEVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-8-13-9(7-15-8)6-10(12-2)11-4-3-5-14-11/h7,10-12H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine?
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine has a molecular weight of 242.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine is sourced from PubChem (CID 80621547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).