5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide

C14H17N3OS — CID 68663438

IUPAC5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C14H17N3OS/c1-8-11(19-13(17-8)12(15)18)9-5-6-16-10(7-9)14(2,3)4/h5-7H,1-4H3,(H2,15,18)
InChIKeyDAZGMBPBTVONAB-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.91
Rot. Bonds2

About 5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide

5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 68663438) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID68663438
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C14H17N3OS/c1-8-11(19-13(17-8)12(15)18)9-5-6-16-10(7-9)14(2,3)4/h5-7H,1-4H3,(H2,15,18)
InChIKeyDAZGMBPBTVONAB-UHFFFAOYSA-N
XLogP2.91
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide (CID 68663438) is 5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide is Cc1nc(C(N)=O)sc1-c1ccnc(C(C)(C)C)c1.
What is the InChIKey of 5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is DAZGMBPBTVONAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-8-11(19-13(17-8)12(15)18)9-5-6-16-10(7-9)14(2,3)4/h5-7H,1-4H3,(H2,15,18).
What are the key properties of 5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide?
5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 68663438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).