N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylthiophene-2-carboxamide

C13H16N2OS2 — CID 2449811

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)s1
InChIInChI=1S/C13H16N2OS2/c1-8-5-6-9(18-8)11(16)15-12-14-10(7-17-12)13(2,3)4/h5-7H,1-4H3,(H,14,15,16)
InChIKeyDNUUFHXNFRPPDX-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.06
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylthiophene-2-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylthiophene-2-carboxamide (PubChem CID 2449811) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylthiophene-2-carboxamide
PubChem CID2449811
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)s1
InChIInChI=1S/C13H16N2OS2/c1-8-5-6-9(18-8)11(16)15-12-14-10(7-17-12)13(2,3)4/h5-7H,1-4H3,(H,14,15,16)
InChIKeyDNUUFHXNFRPPDX-UHFFFAOYSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.06
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)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylthiophene-2-carboxamide (CID 2449811) is N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)s1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is DNUUFHXNFRPPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-8-5-6-9(18-8)11(16)15-12-14-10(7-17-12)13(2,3)4/h5-7H,1-4H3,(H,14,15,16).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylthiophene-2-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 4.06, 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)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 2449811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).