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

C10H11N3OS3 — CID 2221983

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2nc(C)cs2)n1
InChIInChI=1S/C10H11N3OS3/c1-6-3-15-9(11-6)13-8(14)5-17-10-12-7(2)4-16-10/h3-4H,5H2,1-2H3,(H,11,13,14)
InChIKeyKWQRRPXSJAKXBL-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.95
Rot. Bonds4

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

N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2221983) has the molecular formula C10H11N3OS3 and a molecular weight of 285.42 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2221983
Molecular FormulaC10H11N3OS3
Molecular Weight285.42 g/mol
Exact Mass285.01
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2nc(C)cs2)n1
InChIInChI=1S/C10H11N3OS3/c1-6-3-15-9(11-6)13-8(14)5-17-10-12-7(2)4-16-10/h3-4H,5H2,1-2H3,(H,11,13,14)
InChIKeyKWQRRPXSJAKXBL-UHFFFAOYSA-N
XLogP2.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2221983) is N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(NC(=O)CSc2nc(C)cs2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is KWQRRPXSJAKXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS3/c1-6-3-15-9(11-6)13-8(14)5-17-10-12-7(2)4-16-10/h3-4H,5H2,1-2H3,(H,11,13,14).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 285.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2221983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).