N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide

C15H14N4OS — CID 56719499

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
SMILESCc1nc(CNC(=O)c2cccc(-c3cn[nH]c3)c2)cs1
InChIInChI=1S/C15H14N4OS/c1-10-19-14(9-21-10)8-16-15(20)12-4-2-3-11(5-12)13-6-17-18-7-13/h2-7,9H,8H2,1H3,(H,16,20)(H,17,18)
InChIKeyFEMCAVHXVULRSG-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.77
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide (PubChem CID 56719499) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
PubChem CID56719499
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
SMILESCc1nc(CNC(=O)c2cccc(-c3cn[nH]c3)c2)cs1
InChIInChI=1S/C15H14N4OS/c1-10-19-14(9-21-10)8-16-15(20)12-4-2-3-11(5-12)13-6-17-18-7-13/h2-7,9H,8H2,1H3,(H,16,20)(H,17,18)
InChIKeyFEMCAVHXVULRSG-UHFFFAOYSA-N
XLogP2.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide (CID 56719499) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide is Cc1nc(CNC(=O)c2cccc(-c3cn[nH]c3)c2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide?
The InChIKey is FEMCAVHXVULRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-10-19-14(9-21-10)8-16-15(20)12-4-2-3-11(5-12)13-6-17-18-7-13/h2-7,9H,8H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide has a molecular weight of 298.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 56719499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).