4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid

C10H14N2O2S2 — CID 62766134

IUPAC4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N(C)C2CCSC2)sc1C(=O)O
InChIInChI=1S/C10H14N2O2S2/c1-6-8(9(13)14)16-10(11-6)12(2)7-3-4-15-5-7/h7H,3-5H2,1-2H3,(H,13,14)
InChIKeyROGSARKXBUQEPG-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.09
Rot. Bonds3

About 4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62766134) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62766134
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC Name4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N(C)C2CCSC2)sc1C(=O)O
InChIInChI=1S/C10H14N2O2S2/c1-6-8(9(13)14)16-10(11-6)12(2)7-3-4-15-5-7/h7H,3-5H2,1-2H3,(H,13,14)
InChIKeyROGSARKXBUQEPG-UHFFFAOYSA-N
XLogP2.09
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 62764084
2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765134
2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62764075
4-tert-butyl-2-[cycloheptyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63514616
5,5-dimethyl-2-[methyl(thiolan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one
CID 62757637
5-(aminomethyl)-4-ethyl-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 62769176
5-acetyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697069
2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765133
2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 62757636
2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid
CID 43296968
2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765130
4-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylic acid
CID 80687645

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid (CID 62766134) is 4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid is Cc1nc(N(C)C2CCSC2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is ROGSARKXBUQEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-6-8(9(13)14)16-10(11-6)12(2)7-3-4-15-5-7/h7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 258.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62766134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).