4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride

C5H8ClN3S — CID 18315699

IUPAC4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nc(C)cs1
InChIInChI=1S/C5H7N3S.ClH/c1-3-2-9-5(8-3)4(6)7;/h2H,1H3,(H3,6,7);1H
InChIKeyWIMSLPMGWNGYHX-UHFFFAOYSA-N
MW177.66 g/mol
LogP1.16
Rot. Bonds1

About 4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride

4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride (PubChem CID 18315699) has the molecular formula C5H8ClN3S and a molecular weight of 177.66 g/mol. Its IUPAC name is 4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride
PubChem CID18315699
Molecular FormulaC5H8ClN3S
Molecular Weight177.66 g/mol
Exact Mass177.01
IUPAC Name4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nc(C)cs1
InChIInChI=1S/C5H7N3S.ClH/c1-3-2-9-5(8-3)4(6)7;/h2H,1H3,(H3,6,7);1H
InChIKeyWIMSLPMGWNGYHX-UHFFFAOYSA-N
XLogP1.16
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride?
The IUPAC name of 4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride (CID 18315699) is 4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride.
What is the SMILES notation for 4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride?
The canonical SMILES for 4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1nc(C)cs1.
What is the InChIKey of 4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride?
The InChIKey is WIMSLPMGWNGYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S.ClH/c1-3-2-9-5(8-3)4(6)7;/h2H,1H3,(H3,6,7);1H.
What are the key properties of 4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride?
4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride has a molecular weight of 177.66 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride is sourced from PubChem (CID 18315699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).