N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C15H15N5O3S2 — CID 2341387

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CSc3ncn[nH]3)n2)cc1OC
InChIInChI=1S/C15H15N5O3S2/c1-22-11-4-3-9(5-12(11)23-2)10-6-24-15(18-10)19-13(21)7-25-14-16-8-17-20-14/h3-6,8H,7H2,1-2H3,(H,16,17,20)(H,18,19,21)
InChIKeyMOJJOJXUACHANH-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.68
Rot. Bonds7

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2341387) has the molecular formula C15H15N5O3S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2341387
Molecular FormulaC15H15N5O3S2
Molecular Weight377.45 g/mol
Exact Mass377.06
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CSc3ncn[nH]3)n2)cc1OC
InChIInChI=1S/C15H15N5O3S2/c1-22-11-4-3-9(5-12(11)23-2)10-6-24-15(18-10)19-13(21)7-25-14-16-8-17-20-14/h3-6,8H,7H2,1-2H3,(H,16,17,20)(H,18,19,21)
InChIKeyMOJJOJXUACHANH-UHFFFAOYSA-N
XLogP2.68
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)acetamide
CID 2158867
2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 2390478
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 23962702
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 24687548
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 806569
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 24686160
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 6492026
N-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)thiazol-2-yl)-2-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)acetamide
CID 2158841
(E)-N-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)-3-(thiophen-2-yl)acrylamide
CID 6161948
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135451678
3-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 2496079
2-(3,4-Dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 8021849

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2341387) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is COc1ccc(-c2csc(NC(=O)CSc3ncn[nH]3)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is MOJJOJXUACHANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S2/c1-22-11-4-3-9(5-12(11)23-2)10-6-24-15(18-10)19-13(21)7-25-14-16-8-17-20-14/h3-6,8H,7H2,1-2H3,(H,16,17,20)(H,18,19,21).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 377.45 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2341387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).