N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide

C16H15ClN4OS — CID 47062870

IUPACN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cnn(C)c2)sc1Cc1ccccc1Cl
InChIInChI=1S/C16H15ClN4OS/c1-10-14(7-11-5-3-4-6-13(11)17)23-16(19-10)20-15(22)12-8-18-21(2)9-12/h3-6,8-9H,7H2,1-2H3,(H,19,20,22)
InChIKeyBNDAUKTUSPPMEC-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.68
Rot. Bonds4

About N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide

N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 47062870) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
PubChem CID47062870
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cnn(C)c2)sc1Cc1ccccc1Cl
InChIInChI=1S/C16H15ClN4OS/c1-10-14(7-11-5-3-4-6-13(11)17)23-16(19-10)20-15(22)12-8-18-21(2)9-12/h3-6,8-9H,7H2,1-2H3,(H,19,20,22)
InChIKeyBNDAUKTUSPPMEC-UHFFFAOYSA-N
XLogP3.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide (CID 47062870) is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide is Cc1nc(NC(=O)c2cnn(C)c2)sc1Cc1ccccc1Cl.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is BNDAUKTUSPPMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-10-14(7-11-5-3-4-6-13(11)17)23-16(19-10)20-15(22)12-8-18-21(2)9-12/h3-6,8-9H,7H2,1-2H3,(H,19,20,22).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide?
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 346.84 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 47062870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).