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

C9H16N2OS2 — CID 115764279

IUPAC4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCC(C)S(C)=O)sc1C
InChIInChI=1S/C9H16N2OS2/c1-6(14(4)12)5-10-9-11-7(2)8(3)13-9/h6H,5H2,1-4H3,(H,10,11)
InChIKeyLQQWQYVJWWEHQJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.94
Rot. Bonds4

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

4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine (PubChem CID 115764279) has the molecular formula C9H16N2OS2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine
PubChem CID115764279
Molecular FormulaC9H16N2OS2
Molecular Weight232.37 g/mol
Exact Mass232.07
IUPAC Name4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCC(C)S(C)=O)sc1C
InChIInChI=1S/C9H16N2OS2/c1-6(14(4)12)5-10-9-11-7(2)8(3)13-9/h6H,5H2,1-4H3,(H,10,11)
InChIKeyLQQWQYVJWWEHQJ-UHFFFAOYSA-N
XLogP1.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113484222
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol
CID 115691842
4,5-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-thiazol-2-amine
CID 65169907
3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine
CID 115764306
1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 66179606
1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581063
2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde
CID 174483066
2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 65168515
4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine
CID 122556918
4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine
CID 97350871
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 813223

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine (CID 115764279) is 4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine is Cc1nc(NCC(C)S(C)=O)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine?
The InChIKey is LQQWQYVJWWEHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS2/c1-6(14(4)12)5-10-9-11-7(2)8(3)13-9/h6H,5H2,1-4H3,(H,10,11).
What are the key properties of 4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine?
4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine has a molecular weight of 232.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 115764279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).