N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide

C14H13N5O2S — CID 71972435

IUPACN-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-n2cc(CNC(=O)c3cscn3)nn2)cc1
InChIInChI=1S/C14H13N5O2S/c1-21-12-4-2-11(3-5-12)19-7-10(17-18-19)6-15-14(20)13-8-22-9-16-13/h2-5,7-9H,6H2,1H3,(H,15,20)
InChIKeyFPVIPACZRCJOPB-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.66
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 71972435) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID71972435
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-n2cc(CNC(=O)c3cscn3)nn2)cc1
InChIInChI=1S/C14H13N5O2S/c1-21-12-4-2-11(3-5-12)19-7-10(17-18-19)6-15-14(20)13-8-22-9-16-13/h2-5,7-9H,6H2,1H3,(H,15,20)
InChIKeyFPVIPACZRCJOPB-UHFFFAOYSA-N
XLogP1.66
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide (CID 71972435) is N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide is COc1ccc(-n2cc(CNC(=O)c3cscn3)nn2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FPVIPACZRCJOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-21-12-4-2-11(3-5-12)19-7-10(17-18-19)6-15-14(20)13-8-22-9-16-13/h2-5,7-9H,6H2,1H3,(H,15,20).
What are the key properties of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 315.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71972435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).