2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid

C8H12N2O3S — CID 84761744

IUPAC2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESCCC(CO)Nc1nc(C(=O)O)cs1
InChIInChI=1S/C8H12N2O3S/c1-2-5(3-11)9-8-10-6(4-14-8)7(12)13/h4-5,11H,2-3H2,1H3,(H,9,10)(H,12,13)
InChIKeyXBTIHRAPMPJWDP-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.02
Rot. Bonds5

About 2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid

2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 84761744) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID84761744
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESCCC(CO)Nc1nc(C(=O)O)cs1
InChIInChI=1S/C8H12N2O3S/c1-2-5(3-11)9-8-10-6(4-14-8)7(12)13/h4-5,11H,2-3H2,1H3,(H,9,10)(H,12,13)
InChIKeyXBTIHRAPMPJWDP-UHFFFAOYSA-N
XLogP1.02
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 86670251
2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol
CID 133365985
N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 103920000
2-(4-methylpent-1-yn-3-ylamino)-1,3-thiazole-4-carboxylic acid
CID 131098912
2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568415
2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697189
2-hydrazinyl-1,3-thiazole-4-carboxylic acid
CID 15074804
2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 80568782
2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid
CID 86670247
3-[(4-ethyl-1,3-thiazol-2-yl)amino]pentan-1-ol
CID 115691889
2-[(4-ethylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106900901
2-[(2-methyl-3-methylsulfanylpropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568567

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid (CID 84761744) is 2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid is CCC(CO)Nc1nc(C(=O)O)cs1.
What is the InChIKey of 2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is XBTIHRAPMPJWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-2-5(3-11)9-8-10-6(4-14-8)7(12)13/h4-5,11H,2-3H2,1H3,(H,9,10)(H,12,13).
What are the key properties of 2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 216.26 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 84761744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).