4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine

C10H16N2S2 — CID 130913730

IUPAC4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(NC2CSC(C)C2)sc1C
InChIInChI=1S/C10H16N2S2/c1-6-4-9(5-13-6)12-10-11-7(2)8(3)14-10/h6,9H,4-5H2,1-3H3,(H,11,12)
InChIKeyJRTKHMLPRODEKU-UHFFFAOYSA-N
MW228.39 g/mol
LogP3.07
Rot. Bonds2

About 4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine

4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 130913730) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine
PubChem CID130913730
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(NC2CSC(C)C2)sc1C
InChIInChI=1S/C10H16N2S2/c1-6-4-9(5-13-6)12-10-11-7(2)8(3)14-10/h6,9H,4-5H2,1-3H3,(H,11,12)
InChIKeyJRTKHMLPRODEKU-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopent-3-en-1-yl-4,5-dimethyl-1,3-thiazol-2-amine
CID 115695621
N-(5-methylthiolan-3-yl)-1,3,4-thiadiazol-2-amine
CID 107648510
2-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine
CID 79950690
N-(5-methylthiolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 131219168
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 61464445
5-methyl-N-(2,3,4-trifluorophenyl)thiolan-3-amine
CID 79941681
2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine
CID 79950932
N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine
CID 79942337
N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 79870218
5-methyl-N-(3,4,5-trifluorophenyl)thiolan-3-amine
CID 79949375
5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine
CID 127017077
3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol
CID 66005707

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine (CID 130913730) is 4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine is Cc1nc(NC2CSC(C)C2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is JRTKHMLPRODEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-6-4-9(5-13-6)12-10-11-7(2)8(3)14-10/h6,9H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine?
4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 228.39 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(5-methylthiolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130913730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).