N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide

C13H11N5O2S — CID 46969790

IUPACN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)c2ncn[nH]2)n1
InChIInChI=1S/C13H11N5O2S/c1-20-10-5-3-2-4-8(10)9-6-21-13(16-9)17-12(19)11-14-7-15-18-11/h2-7H,1H3,(H,14,15,18)(H,16,17,19)
InChIKeyMVRXQWFASJFIBW-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.19
Rot. Bonds4

About N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 46969790) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID46969790
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)c2ncn[nH]2)n1
InChIInChI=1S/C13H11N5O2S/c1-20-10-5-3-2-4-8(10)9-6-21-13(16-9)17-12(19)11-14-7-15-18-11/h2-7H,1H3,(H,14,15,18)(H,16,17,19)
InChIKeyMVRXQWFASJFIBW-UHFFFAOYSA-N
XLogP2.19
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
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2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19226274
3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
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4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide
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N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
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N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-nitrobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide (CID 46969790) is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide is COc1ccccc1-c1csc(NC(=O)c2ncn[nH]2)n1.
What is the InChIKey of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is MVRXQWFASJFIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c1-20-10-5-3-2-4-8(10)9-6-21-13(16-9)17-12(19)11-14-7-15-18-11/h2-7H,1H3,(H,14,15,18)(H,16,17,19).
What are the key properties of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide?
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 46969790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).