N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride

C14H15ClN6O2S — CID 69084347

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCc1csc(C(C)NC(=O)c2cnc(-n3cccn3)[nH]c2=O)n1.Cl
InChIInChI=1S/C14H14N6O2S.ClH/c1-8-7-23-13(17-8)9(2)18-11(21)10-6-15-14(19-12(10)22)20-5-3-4-16-20;/h3-7,9H,1-2H3,(H,18,21)(H,15,19,22);1H
InChIKeyARUGZNNZRRLMHA-UHFFFAOYSA-N
MW366.83 g/mol
LogP1.63
Rot. Bonds4

About N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride (PubChem CID 69084347) has the molecular formula C14H15ClN6O2S and a molecular weight of 366.83 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride
PubChem CID69084347
Molecular FormulaC14H15ClN6O2S
Molecular Weight366.83 g/mol
Exact Mass366.07
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCc1csc(C(C)NC(=O)c2cnc(-n3cccn3)[nH]c2=O)n1.Cl
InChIInChI=1S/C14H14N6O2S.ClH/c1-8-7-23-13(17-8)9(2)18-11(21)10-6-15-14(19-12(10)22)20-5-3-4-16-20;/h3-7,9H,1-2H3,(H,18,21)(H,15,19,22);1H
InChIKeyARUGZNNZRRLMHA-UHFFFAOYSA-N
XLogP1.63
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride (CID 69084347) is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride is Cc1csc(C(C)NC(=O)c2cnc(-n3cccn3)[nH]c2=O)n1.Cl.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is ARUGZNNZRRLMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S.ClH/c1-8-7-23-13(17-8)9(2)18-11(21)10-6-15-14(19-12(10)22)20-5-3-4-16-20;/h3-7,9H,1-2H3,(H,18,21)(H,15,19,22);1H.
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride?
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 366.83 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 69084347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).