N-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

C12H14N2OS2 — CID 574261

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C12H14N2OS2/c1-12(2,3)9-7-17-11(13-9)14-10(15)8-5-4-6-16-8/h4-7H,1-3H3,(H,13,14,15)
InChIKeyBPEFWNYEMRLDEX-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.75
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 574261) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID574261
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C12H14N2OS2/c1-12(2,3)9-7-17-11(13-9)14-10(15)8-5-4-6-16-8/h4-7H,1-3H3,(H,13,14,15)
InChIKeyBPEFWNYEMRLDEX-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 574261) is N-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is CC(C)(C)c1csc(NC(=O)c2cccs2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is BPEFWNYEMRLDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-12(2,3)9-7-17-11(13-9)14-10(15)8-5-4-6-16-8/h4-7H,1-3H3,(H,13,14,15).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 574261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).