N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide

C19H15N5OS — CID 50969828

IUPACN-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCc1scnc1-c1ccccc1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C19H15N5OS/c25-19(15-6-8-16(9-7-15)24-11-22-23-12-24)20-10-17-18(21-13-26-17)14-4-2-1-3-5-14/h1-9,11-13H,10H2,(H,20,25)
InChIKeyHQUBGTCHTHQQEJ-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.32
Rot. Bonds5

About N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide

N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 50969828) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID50969828
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCc1scnc1-c1ccccc1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C19H15N5OS/c25-19(15-6-8-16(9-7-15)24-11-22-23-12-24)20-10-17-18(21-13-26-17)14-4-2-1-3-5-14/h1-9,11-13H,10H2,(H,20,25)
InChIKeyHQUBGTCHTHQQEJ-UHFFFAOYSA-N
XLogP3.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide (CID 50969828) is N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide is O=C(NCc1scnc1-c1ccccc1)c1ccc(-n2cnnc2)cc1.
What is the InChIKey of N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is HQUBGTCHTHQQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c25-19(15-6-8-16(9-7-15)24-11-22-23-12-24)20-10-17-18(21-13-26-17)14-4-2-1-3-5-14/h1-9,11-13H,10H2,(H,20,25).
What are the key properties of N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide?
N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 361.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 50969828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).