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

C10H16N2S2 — CID 83197030

IUPACN-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
SMILESCNC1CSCC1Cc1nc(C)cs1
InChIInChI=1S/C10H16N2S2/c1-7-4-14-10(12-7)3-8-5-13-6-9(8)11-2/h4,8-9,11H,3,5-6H2,1-2H3
InChIKeyJWURBJGYLNIZCK-UHFFFAOYSA-N
MW228.39 g/mol
LogP1.95
Rot. Bonds3

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

N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine (PubChem CID 83197030) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
PubChem CID83197030
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC NameN-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
SMILESCNC1CSCC1Cc1nc(C)cs1
InChIInChI=1S/C10H16N2S2/c1-7-4-14-10(12-7)3-8-5-13-6-9(8)11-2/h4,8-9,11H,3,5-6H2,1-2H3
InChIKeyJWURBJGYLNIZCK-UHFFFAOYSA-N
XLogP1.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 83195453
N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine
CID 81017373
4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine
CID 83196824
N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031376
N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine
CID 83196394
N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028146
N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine
CID 83196309
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine
CID 63238611
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-dioxothietan-3-amine
CID 131025858
4-(furan-2-ylmethyl)-N-methylthiolan-3-amine
CID 83195567
3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 104859672
3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 104587961

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine?
The IUPAC name of N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine (CID 83197030) is N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine.
What is the SMILES notation for N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine?
The canonical SMILES for N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine is CNC1CSCC1Cc1nc(C)cs1.
What is the InChIKey of N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine?
The InChIKey is JWURBJGYLNIZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-7-4-14-10(12-7)3-8-5-13-6-9(8)11-2/h4,8-9,11H,3,5-6H2,1-2H3.
What are the key properties of N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine?
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine has a molecular weight of 228.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 83197030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).