(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride

C7H9ClN4S — CID 126697411

IUPAC(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1cnc(-n2cccn2)s1
InChIInChI=1S/C7H8N4S.ClH/c8-4-6-5-9-7(12-6)11-3-1-2-10-11;/h1-3,5H,4,8H2;1H
InChIKeyWMWKYHLIQUGRQI-UHFFFAOYSA-N
MW216.70 g/mol
LogP1.21
Rot. Bonds2

About (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride

(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride (PubChem CID 126697411) has the molecular formula C7H9ClN4S and a molecular weight of 216.70 g/mol. Its IUPAC name is (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride
PubChem CID126697411
Molecular FormulaC7H9ClN4S
Molecular Weight216.70 g/mol
Exact Mass216.02
IUPAC Name(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1cnc(-n2cccn2)s1
InChIInChI=1S/C7H8N4S.ClH/c8-4-6-5-9-7(12-6)11-3-1-2-10-11;/h1-3,5H,4,8H2;1H
InChIKeyWMWKYHLIQUGRQI-UHFFFAOYSA-N
XLogP1.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.70
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride (CID 126697411) is (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride is Cl.NCc1cnc(-n2cccn2)s1.
What is the InChIKey of (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride?
The InChIKey is WMWKYHLIQUGRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S.ClH/c8-4-6-5-9-7(12-6)11-3-1-2-10-11;/h1-3,5H,4,8H2;1H.
What are the key properties of (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride?
(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride has a molecular weight of 216.70 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 126697411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).