2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride

C6H7ClN2O3S — CID 170912291

IUPAC2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)CNC(=O)c1cscn1
InChIInChI=1S/C6H6N2O3S.ClH/c9-5(10)1-7-6(11)4-2-12-3-8-4;/h2-3H,1H2,(H,7,11)(H,9,10);1H
InChIKeyNPRFMXLKWQHKPN-UHFFFAOYSA-N
MW222.65 g/mol
LogP0.38
Rot. Bonds3

About 2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride

2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride (PubChem CID 170912291) has the molecular formula C6H7ClN2O3S and a molecular weight of 222.65 g/mol. Its IUPAC name is 2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride
PubChem CID170912291
Molecular FormulaC6H7ClN2O3S
Molecular Weight222.65 g/mol
Exact Mass221.99
IUPAC Name2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)CNC(=O)c1cscn1
InChIInChI=1S/C6H6N2O3S.ClH/c9-5(10)1-7-6(11)4-2-12-3-8-4;/h2-3H,1H2,(H,7,11)(H,9,10);1H
InChIKeyNPRFMXLKWQHKPN-UHFFFAOYSA-N
XLogP0.38
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride?
The IUPAC name of 2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride (CID 170912291) is 2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride.
What is the SMILES notation for 2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride?
The canonical SMILES for 2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride is Cl.O=C(O)CNC(=O)c1cscn1.
What is the InChIKey of 2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride?
The InChIKey is NPRFMXLKWQHKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3S.ClH/c9-5(10)1-7-6(11)4-2-12-3-8-4;/h2-3H,1H2,(H,7,11)(H,9,10);1H.
What are the key properties of 2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride?
2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride has a molecular weight of 222.65 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazole-4-carbonylamino)acetic acid;hydrochloride is sourced from PubChem (CID 170912291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).