1,3-thiazol-2-ylurea;hydrochloride

C4H6ClN3OS — CID 118455578

IUPAC1,3-thiazol-2-ylurea;hydrochloride
SMILESCl.NC(=O)Nc1nccs1
InChIInChI=1S/C4H5N3OS.ClH/c5-3(8)7-4-6-1-2-9-4;/h1-2H,(H3,5,6,7,8);1H
InChIKeyMZHKACYBGRDZDK-UHFFFAOYSA-N
MW179.63 g/mol
LogP1.06
Rot. Bonds1

About 1,3-thiazol-2-ylurea;hydrochloride

1,3-thiazol-2-ylurea;hydrochloride (PubChem CID 118455578) has the molecular formula C4H6ClN3OS and a molecular weight of 179.63 g/mol. Its IUPAC name is 1,3-thiazol-2-ylurea;hydrochloride.

Molecular Properties

Compound Name1,3-thiazol-2-ylurea;hydrochloride
PubChem CID118455578
Molecular FormulaC4H6ClN3OS
Molecular Weight179.63 g/mol
Exact Mass178.99
IUPAC Name1,3-thiazol-2-ylurea;hydrochloride
SMILESCl.NC(=O)Nc1nccs1
InChIInChI=1S/C4H5N3OS.ClH/c5-3(8)7-4-6-1-2-9-4;/h1-2H,(H3,5,6,7,8);1H
InChIKeyMZHKACYBGRDZDK-UHFFFAOYSA-N
XLogP1.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.63
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-ylurea;hydrochloride?
The IUPAC name of 1,3-thiazol-2-ylurea;hydrochloride (CID 118455578) is 1,3-thiazol-2-ylurea;hydrochloride.
What is the SMILES notation for 1,3-thiazol-2-ylurea;hydrochloride?
The canonical SMILES for 1,3-thiazol-2-ylurea;hydrochloride is Cl.NC(=O)Nc1nccs1.
What is the InChIKey of 1,3-thiazol-2-ylurea;hydrochloride?
The InChIKey is MZHKACYBGRDZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS.ClH/c5-3(8)7-4-6-1-2-9-4;/h1-2H,(H3,5,6,7,8);1H.
What are the key properties of 1,3-thiazol-2-ylurea;hydrochloride?
1,3-thiazol-2-ylurea;hydrochloride has a molecular weight of 179.63 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-ylurea;hydrochloride is sourced from PubChem (CID 118455578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).