N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

C12H17N3OS3 — CID 4272947

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)CSC2=NCCS2)n1
InChIInChI=1S/C12H17N3OS3/c1-12(2,3)8-6-18-10(14-8)15-9(16)7-19-11-13-4-5-17-11/h6H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyTXWIBGFMTYCNCO-UHFFFAOYSA-N
MW315.49 g/mol
LogP3.22
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (PubChem CID 4272947) has the molecular formula C12H17N3OS3 and a molecular weight of 315.49 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
PubChem CID4272947
Molecular FormulaC12H17N3OS3
Molecular Weight315.49 g/mol
Exact Mass315.05
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)CSC2=NCCS2)n1
InChIInChI=1S/C12H17N3OS3/c1-12(2,3)8-6-18-10(14-8)15-9(16)7-19-11-13-4-5-17-11/h6H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyTXWIBGFMTYCNCO-UHFFFAOYSA-N
XLogP3.22
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (CID 4272947) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is CC(C)(C)c1csc(NC(=O)CSC2=NCCS2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The InChIKey is TXWIBGFMTYCNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS3/c1-12(2,3)8-6-18-10(14-8)15-9(16)7-19-11-13-4-5-17-11/h6H,4-5,7H2,1-3H3,(H,14,15,16).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide has a molecular weight of 315.49 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 4272947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).