N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H15N5O2S2 — CID 6492026

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CSc3n[nH]c(C)n3)n2)cc1
InChIInChI=1S/C15H15N5O2S2/c1-9-16-15(20-19-9)24-8-13(21)18-14-17-12(7-23-14)10-3-5-11(22-2)6-4-10/h3-7H,8H2,1-2H3,(H,16,19,20)(H,17,18,21)
InChIKeyIDNGUBXYOVOZGW-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.98
Rot. Bonds6

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 6492026) has the molecular formula C15H15N5O2S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID6492026
Molecular FormulaC15H15N5O2S2
Molecular Weight361.45 g/mol
Exact Mass361.07
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CSc3n[nH]c(C)n3)n2)cc1
InChIInChI=1S/C15H15N5O2S2/c1-9-16-15(20-19-9)24-8-13(21)18-14-17-12(7-23-14)10-3-5-11(22-2)6-4-10/h3-7H,8H2,1-2H3,(H,16,19,20)(H,17,18,21)
InChIKeyIDNGUBXYOVOZGW-UHFFFAOYSA-N
XLogP2.98
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 6492026) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is COc1ccc(-c2csc(NC(=O)CSc3n[nH]c(C)n3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is IDNGUBXYOVOZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S2/c1-9-16-15(20-19-9)24-8-13(21)18-14-17-12(7-23-14)10-3-5-11(22-2)6-4-10/h3-7H,8H2,1-2H3,(H,16,19,20)(H,17,18,21).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6492026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).