2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid

C6H6N2O4S — CID 86670247

IUPAC2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid
SMILESCOC(=O)Nc1nc(C(=O)O)cs1
InChIInChI=1S/C6H6N2O4S/c1-12-6(11)8-5-7-3(2-13-5)4(9)10/h2H,1H3,(H,9,10)(H,7,8,11)
InChIKeyHXSCKPRBDCREEO-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.02
Rot. Bonds2

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

2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 86670247) has the molecular formula C6H6N2O4S and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID86670247
Molecular FormulaC6H6N2O4S
Molecular Weight202.19 g/mol
Exact Mass202.00
IUPAC Name2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid
SMILESCOC(=O)Nc1nc(C(=O)O)cs1
InChIInChI=1S/C6H6N2O4S/c1-12-6(11)8-5-7-3(2-13-5)4(9)10/h2H,1H3,(H,9,10)(H,7,8,11)
InChIKeyHXSCKPRBDCREEO-UHFFFAOYSA-N
XLogP1.02
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate
CID 10016291
2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid
CID 175331559
2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 19611008
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
2-hydrazinyl-1,3-thiazole-4-carboxylic acid
CID 15074804
3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobut-2-enoic acid
CID 154331598
2-(3-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 86670251
tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate
CID 134297257
3,3-dichloro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]prop-2-enoic acid;hydrochloride
CID 88691310
potassium 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetate
CID 139769617
(2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 22827748
2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568415

Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid (CID 86670247) is 2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid is COC(=O)Nc1nc(C(=O)O)cs1.
What is the InChIKey of 2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is HXSCKPRBDCREEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4S/c1-12-6(11)8-5-7-3(2-13-5)4(9)10/h2H,1H3,(H,9,10)(H,7,8,11).
What are the key properties of 2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid?
2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 202.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 86670247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).