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

C14H13N5O2S — CID 56892863

IUPACN-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide
SMILESCOc1cccc(-c2ncc(CNC(=O)c3cn[nH]n3)s2)c1
InChIInChI=1S/C14H13N5O2S/c1-21-10-4-2-3-9(5-10)14-16-7-11(22-14)6-15-13(20)12-8-17-19-18-12/h2-5,7-8H,6H2,1H3,(H,15,20)(H,17,18,19)
InChIKeyBGVRWCYKRULGEM-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.87
Rot. Bonds5

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

N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide (PubChem CID 56892863) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide
PubChem CID56892863
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide
SMILESCOc1cccc(-c2ncc(CNC(=O)c3cn[nH]n3)s2)c1
InChIInChI=1S/C14H13N5O2S/c1-21-10-4-2-3-9(5-10)14-16-7-11(22-14)6-15-13(20)12-8-17-19-18-12/h2-5,7-8H,6H2,1H3,(H,15,20)(H,17,18,19)
InChIKeyBGVRWCYKRULGEM-UHFFFAOYSA-N
XLogP1.87
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70768557
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CID 82424209
(2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide
CID 95868234
cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 133136628
N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 47338634
(2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 124847125
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CID 86825840
1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280554
4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methylpiperazine-2-carboxylic acid
CID 135095144
2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
CID 86825779
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide (CID 56892863) is N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide is COc1cccc(-c2ncc(CNC(=O)c3cn[nH]n3)s2)c1.
What is the InChIKey of N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide?
The InChIKey is BGVRWCYKRULGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-21-10-4-2-3-9(5-10)14-16-7-11(22-14)6-15-13(20)12-8-17-19-18-12/h2-5,7-8H,6H2,1H3,(H,15,20)(H,17,18,19).
What are the key properties of N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide?
N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide has a molecular weight of 315.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 56892863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).