N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C16H15N3OS3 — CID 1235813

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CSc3nc(C)cs3)n2)cc1
InChIInChI=1S/C16H15N3OS3/c1-10-3-5-12(6-4-10)13-8-21-15(18-13)19-14(20)9-23-16-17-11(2)7-22-16/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyAYMHXCNJZHCDFZ-UHFFFAOYSA-N
MW361.52 g/mol
LogP4.61
Rot. Bonds5

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 1235813) has the molecular formula C16H15N3OS3 and a molecular weight of 361.52 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID1235813
Molecular FormulaC16H15N3OS3
Molecular Weight361.52 g/mol
Exact Mass361.04
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CSc3nc(C)cs3)n2)cc1
InChIInChI=1S/C16H15N3OS3/c1-10-3-5-12(6-4-10)13-8-21-15(18-13)19-14(20)9-23-16-17-11(2)7-22-16/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyAYMHXCNJZHCDFZ-UHFFFAOYSA-N
XLogP4.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
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CID 269341
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 346945
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
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CID 7597179

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 1235813) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1ccc(-c2csc(NC(=O)CSc3nc(C)cs3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is AYMHXCNJZHCDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS3/c1-10-3-5-12(6-4-10)13-8-21-15(18-13)19-14(20)9-23-16-17-11(2)7-22-16/h3-8H,9H2,1-2H3,(H,18,19,20).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 361.52 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1235813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).