N-[4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide

C19H21N5OS3 — CID 30079055

About N-[4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide

N-[4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 30079055) has the molecular formula C19H21N5OS3 and a molecular weight of 431.61 g/mol. Its IUPAC name is N-[4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
• PubChem CID: 30079055
• Molecular Formula: C19H21N5OS3
• Molecular Weight: 431.61 g/mol
• Exact Mass: 431.09
• IUPAC Name: N-[4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
• SMILES: CC(=O)N(c1nc(CSc2nnc(NC3CC3)s2)cs1)c1cccc(C)c1C
• InChI: InChI=1S/C19H21N5OS3/c1-11-5-4-6-16(12(11)2)24(13(3)25)18-21-15(9-26-18)10-27-19-23-22-17(28-19)20-14-7-8-14/h4-6,9,14H,7-8,10H2,1-3H3,(H,20,22)
• InChIKey: YBBKARFGEZRRFZ-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.61
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide?

The IUPAC name of N-[4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide (CID 30079055) is N-[4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide.

What is the SMILES notation for N-[4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide?

The canonical SMILES for N-[4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide is CC(=O)N(c1nc(CSc2nnc(NC3CC3)s2)cs1)c1cccc(C)c1C.

What is the InChIKey of N-[4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide?

The InChIKey is YBBKARFGEZRRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS3/c1-11-5-4-6-16(12(11)2)24(13(3)25)18-21-15(9-26-18)10-27-19-23-22-17(28-19)20-14-7-8-14/h4-6,9,14H,7-8,10H2,1-3H3,(H,20,22).

What are the key properties of N-[4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide?

N-[4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 431.61 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 30079055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).