2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine

C9H14N2S2 — CID 79951862

IUPAC2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine
SMILESCC1SCCCC1(N)c1nccs1
InChIInChI=1S/C9H14N2S2/c1-7-9(10,3-2-5-12-7)8-11-4-6-13-8/h4,6-7H,2-3,5,10H2,1H3
InChIKeyYBMXGRQYLMXZPM-UHFFFAOYSA-N
MW214.36 g/mol
LogP2.21
Rot. Bonds1

About 2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine

2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine (PubChem CID 79951862) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is 2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine.

Molecular Properties

Compound Name2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine
PubChem CID79951862
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC Name2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine
SMILESCC1SCCCC1(N)c1nccs1
InChIInChI=1S/C9H14N2S2/c1-7-9(10,3-2-5-12-7)8-11-4-6-13-8/h4,6-7H,2-3,5,10H2,1H3
InChIKeyYBMXGRQYLMXZPM-UHFFFAOYSA-N
XLogP2.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine
CID 79951354
2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol
CID 79951477
3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
CID 103563874
N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405296
N-propyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61332772
4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79823883
N-cyclopropyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61334064
2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid
CID 130948762
3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 107429493
N,2,3-trimethyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
CID 130877388
N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 75377453
2-(1-ethoxycycloheptyl)-1,3-thiazole
CID 116782694

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine?
The IUPAC name of 2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine (CID 79951862) is 2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine.
What is the SMILES notation for 2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine?
The canonical SMILES for 2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine is CC1SCCCC1(N)c1nccs1.
What is the InChIKey of 2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine?
The InChIKey is YBMXGRQYLMXZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c1-7-9(10,3-2-5-12-7)8-11-4-6-13-8/h4,6-7H,2-3,5,10H2,1H3.
What are the key properties of 2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine?
2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine has a molecular weight of 214.36 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine is sourced from PubChem (CID 79951862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).