N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide

C16H16N4OS — CID 72925122

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESCc1nc(C)c(CNC(=O)c2ccc(-c3ccn[nH]3)cc2)s1
InChIInChI=1S/C16H16N4OS/c1-10-15(22-11(2)19-10)9-17-16(21)13-5-3-12(4-6-13)14-7-8-18-20-14/h3-8H,9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyCNTAMDLWPJBRKT-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.08
Rot. Bonds4

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide (PubChem CID 72925122) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
PubChem CID72925122
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESCc1nc(C)c(CNC(=O)c2ccc(-c3ccn[nH]3)cc2)s1
InChIInChI=1S/C16H16N4OS/c1-10-15(22-11(2)19-10)9-17-16(21)13-5-3-12(4-6-13)14-7-8-18-20-14/h3-8H,9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyCNTAMDLWPJBRKT-UHFFFAOYSA-N
XLogP3.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide (CID 72925122) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide is Cc1nc(C)c(CNC(=O)c2ccc(-c3ccn[nH]3)cc2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide?
The InChIKey is CNTAMDLWPJBRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-10-15(22-11(2)19-10)9-17-16(21)13-5-3-12(4-6-13)14-7-8-18-20-14/h3-8H,9H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide has a molecular weight of 312.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 72925122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).