2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid

C10H16N2O2S — CID 80571095

IUPAC2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESCCC(Nc1ncc(C(=O)O)s1)C(C)C
InChIInChI=1S/C10H16N2O2S/c1-4-7(6(2)3)12-10-11-5-8(15-10)9(13)14/h5-7H,4H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyVDSVGJDOWCTDNM-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.69
Rot. Bonds5

About 2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid

2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 80571095) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID80571095
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESCCC(Nc1ncc(C(=O)O)s1)C(C)C
InChIInChI=1S/C10H16N2O2S/c1-4-7(6(2)3)12-10-11-5-8(15-10)9(13)14/h5-7H,4H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyVDSVGJDOWCTDNM-UHFFFAOYSA-N
XLogP2.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid
CID 80572399
2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80571367
2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80571509
2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570956
2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid
CID 80571184
2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid
CID 115409393
2-(octylamino)-1,3-thiazole-5-carboxylic acid
CID 115565235
2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid
CID 80571798
3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid
CID 62709321
2-(3,5-dimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 80571652
2-(2-methylprop-2-enylamino)-1,3-thiazole-5-carboxylic acid
CID 130569093
2-(4-propan-2-yloxybutylamino)-1,3-thiazole-5-carboxylic acid
CID 106006404

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid (CID 80571095) is 2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid is CCC(Nc1ncc(C(=O)O)s1)C(C)C.
What is the InChIKey of 2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is VDSVGJDOWCTDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-7(6(2)3)12-10-11-5-8(15-10)9(13)14/h5-7H,4H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid?
2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 228.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80571095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).