2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride

C6H7ClN2O3S — CID 87949636

IUPAC2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride
SMILESCl.O=CNc1nc(CC(=O)O)cs1
InChIInChI=1S/C6H6N2O3S.ClH/c9-3-7-6-8-4(2-12-6)1-5(10)11;/h2-3H,1H2,(H,10,11)(H,7,8,9);1H
InChIKeyQHAMBKXNYRMENC-UHFFFAOYSA-N
MW222.65 g/mol
LogP0.76
Rot. Bonds4

About 2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride

2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride (PubChem CID 87949636) has the molecular formula C6H7ClN2O3S and a molecular weight of 222.65 g/mol. Its IUPAC name is 2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride
PubChem CID87949636
Molecular FormulaC6H7ClN2O3S
Molecular Weight222.65 g/mol
Exact Mass221.99
IUPAC Name2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride
SMILESCl.O=CNc1nc(CC(=O)O)cs1
InChIInChI=1S/C6H6N2O3S.ClH/c9-3-7-6-8-4(2-12-6)1-5(10)11;/h2-3H,1H2,(H,10,11)(H,7,8,9);1H
InChIKeyQHAMBKXNYRMENC-UHFFFAOYSA-N
XLogP0.76
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 11286886
2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 83023966
2-[2-[[(Z)-2-methylbut-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 115909600
2-[2-[(2-cyanoacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 86062633
2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576122
2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 114805146
2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid
CID 9154876
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
2-[2-[[(E)-18-oxooctadec-9-enyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 173274566
2-[2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43354576
2-[2-[(2-bromophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575894
2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16785815

Frequently Asked Questions

What is the IUPAC name of 2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride (CID 87949636) is 2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride is Cl.O=CNc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride?
The InChIKey is QHAMBKXNYRMENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3S.ClH/c9-3-7-6-8-4(2-12-6)1-5(10)11;/h2-3H,1H2,(H,10,11)(H,7,8,9);1H.
What are the key properties of 2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride?
2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride has a molecular weight of 222.65 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride is sourced from PubChem (CID 87949636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).