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

C11H13N3OS3 — CID 113241736

IUPAC2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)Cc2sc(=S)[nH]c2C)s1
InChIInChI=1S/C11H13N3OS3/c1-6-4-13-10(17-6)5-12-9(15)3-8-7(2)14-11(16)18-8/h4H,3,5H2,1-2H3,(H,12,15)(H,14,16)
InChIKeyBHJLFEQXGDPUIU-UHFFFAOYSA-N
MW299.45 g/mol
LogP2.74
Rot. Bonds4

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

2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 113241736) has the molecular formula C11H13N3OS3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID113241736
Molecular FormulaC11H13N3OS3
Molecular Weight299.45 g/mol
Exact Mass299.02
IUPAC Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)Cc2sc(=S)[nH]c2C)s1
InChIInChI=1S/C11H13N3OS3/c1-6-4-13-10(17-6)5-12-9(15)3-8-7(2)14-11(16)18-8/h4H,3,5H2,1-2H3,(H,12,15)(H,14,16)
InChIKeyBHJLFEQXGDPUIU-UHFFFAOYSA-N
XLogP2.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 99579758
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 99618785
N-[(6-methoxy-3-pyridinyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103607000
N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 166202086
N-cyclopentyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47125331
2-(1H-indol-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 110746414
3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814782
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814822
N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47127751
N-cyclopent-3-en-1-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103762330
4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 110738921

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide (CID 113241736) is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide is Cc1cnc(CNC(=O)Cc2sc(=S)[nH]c2C)s1.
What is the InChIKey of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is BHJLFEQXGDPUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS3/c1-6-4-13-10(17-6)5-12-9(15)3-8-7(2)14-11(16)18-8/h4H,3,5H2,1-2H3,(H,12,15)(H,14,16).
What are the key properties of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide?
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 299.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 113241736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).