N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide

C18H17N3OS2 — CID 70694654

IUPACN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1csc(N(C)C(=O)CSc2ccc(-c3ccccc3)cn2)n1
InChIInChI=1S/C18H17N3OS2/c1-13-11-24-18(20-13)21(2)17(22)12-23-16-9-8-15(10-19-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyDNKZEMYIKPNZFQ-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.27
Rot. Bonds5

About N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide

N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 70694654) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID70694654
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC NameN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1csc(N(C)C(=O)CSc2ccc(-c3ccccc3)cn2)n1
InChIInChI=1S/C18H17N3OS2/c1-13-11-24-18(20-13)21(2)17(22)12-23-16-9-8-15(10-19-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyDNKZEMYIKPNZFQ-UHFFFAOYSA-N
XLogP4.27
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide (CID 70694654) is N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide is Cc1csc(N(C)C(=O)CSc2ccc(-c3ccccc3)cn2)n1.
What is the InChIKey of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is DNKZEMYIKPNZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-13-11-24-18(20-13)21(2)17(22)12-23-16-9-8-15(10-19-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide?
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 355.49 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 70694654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).