N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C19H17N5O2S2 — CID 56524507

IUPACN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)c3sc(-c4ccsc4)nc3C)n2)cc1
InChIInChI=1S/C19H17N5O2S2/c1-11-16(28-19(21-11)13-7-8-27-10-13)18(25)20-9-15-22-17(24-23-15)12-3-5-14(26-2)6-4-12/h3-8,10H,9H2,1-2H3,(H,20,25)(H,22,23,24)
InChIKeyNFPKMIGOGVCRFW-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.90
Rot. Bonds6

About N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 56524507) has the molecular formula C19H17N5O2S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID56524507
Molecular FormulaC19H17N5O2S2
Molecular Weight411.51 g/mol
Exact Mass411.08
IUPAC NameN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)c3sc(-c4ccsc4)nc3C)n2)cc1
InChIInChI=1S/C19H17N5O2S2/c1-11-16(28-19(21-11)13-7-8-27-10-13)18(25)20-9-15-22-17(24-23-15)12-3-5-14(26-2)6-4-12/h3-8,10H,9H2,1-2H3,(H,20,25)(H,22,23,24)
InChIKeyNFPKMIGOGVCRFW-UHFFFAOYSA-N
XLogP3.90
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
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N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 51237481
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 83097518
4-iodo-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56524317
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 9086489
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535
4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 32915631
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 41291742
2-(2,4-dimethylphenyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 56523972

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 56524507) is N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is COc1ccc(-c2n[nH]c(CNC(=O)c3sc(-c4ccsc4)nc3C)n2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NFPKMIGOGVCRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S2/c1-11-16(28-19(21-11)13-7-8-27-10-13)18(25)20-9-15-22-17(24-23-15)12-3-5-14(26-2)6-4-12/h3-8,10H,9H2,1-2H3,(H,20,25)(H,22,23,24).
What are the key properties of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56524507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).