4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine

C9H14N2S2 — CID 130519810

IUPAC4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
SMILESCC1CSCC1NCc1nccs1
InChIInChI=1S/C9H14N2S2/c1-7-5-12-6-8(7)11-4-9-10-2-3-13-9/h2-3,7-8,11H,4-6H2,1H3
InChIKeyDCYKZUYLBULVGG-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.98
Rot. Bonds3

About 4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine

4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine (PubChem CID 130519810) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is 4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
PubChem CID130519810
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC Name4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
SMILESCC1CSCC1NCc1nccs1
InChIInChI=1S/C9H14N2S2/c1-7-5-12-6-8(7)11-4-9-10-2-3-13-9/h2-3,7-8,11H,4-6H2,1H3
InChIKeyDCYKZUYLBULVGG-UHFFFAOYSA-N
XLogP1.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693
3-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine
CID 64923336
3-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 60961816
4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine
CID 130993198
N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 83195453
1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 63001484
tert-butyl 2-methyl-3-(1,3-thiazol-2-ylmethylamino)piperidine-1-carboxylate
CID 104954266
1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073772
2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride
CID 120966476
1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073726
3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol
CID 162881127
N-[(4-bromothiophen-3-yl)methyl]-4-methylthiolan-3-amine
CID 126988168

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The IUPAC name of 4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine (CID 130519810) is 4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The canonical SMILES for 4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine is CC1CSCC1NCc1nccs1.
What is the InChIKey of 4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The InChIKey is DCYKZUYLBULVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c1-7-5-12-6-8(7)11-4-9-10-2-3-13-9/h2-3,7-8,11H,4-6H2,1H3.
What are the key properties of 4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine has a molecular weight of 214.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 130519810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).