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

C13H17N3OS2 — CID 50983544

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCCCc1nc(CNC(=O)Cc2csc(C)n2)cs1
InChIInChI=1S/C13H17N3OS2/c1-3-4-13-16-11(8-19-13)6-14-12(17)5-10-7-18-9(2)15-10/h7-8H,3-6H2,1-2H3,(H,14,17)
InChIKeyDTXQBNHAWKDMFN-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.72
Rot. Bonds6

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

2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 50983544) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID50983544
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCCCc1nc(CNC(=O)Cc2csc(C)n2)cs1
InChIInChI=1S/C13H17N3OS2/c1-3-4-13-16-11(8-19-13)6-14-12(17)5-10-7-18-9(2)15-10/h7-8H,3-6H2,1-2H3,(H,14,17)
InChIKeyDTXQBNHAWKDMFN-UHFFFAOYSA-N
XLogP2.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide (CID 50983544) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide is CCCc1nc(CNC(=O)Cc2csc(C)n2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is DTXQBNHAWKDMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-3-4-13-16-11(8-19-13)6-14-12(17)5-10-7-18-9(2)15-10/h7-8H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 295.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 50983544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).