N,2-ditert-butyl-1,3-thiazole-5-carboxamide

C12H20N2OS — CID 47398500

IUPACN,2-ditert-butyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C12H20N2OS/c1-11(2,3)10-13-7-8(16-10)9(15)14-12(4,5)6/h7H,1-6H3,(H,14,15)
InChIKeyDJUSYGYQGXWLFC-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.97
Rot. Bonds1

About N,2-ditert-butyl-1,3-thiazole-5-carboxamide

N,2-ditert-butyl-1,3-thiazole-5-carboxamide (PubChem CID 47398500) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N,2-ditert-butyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,2-ditert-butyl-1,3-thiazole-5-carboxamide
PubChem CID47398500
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN,2-ditert-butyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C12H20N2OS/c1-11(2,3)10-13-7-8(16-10)9(15)14-12(4,5)6/h7H,1-6H3,(H,14,15)
InChIKeyDJUSYGYQGXWLFC-UHFFFAOYSA-N
XLogP2.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-ditert-butyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,2-ditert-butyl-1,3-thiazole-5-carboxamide (CID 47398500) is N,2-ditert-butyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,2-ditert-butyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,2-ditert-butyl-1,3-thiazole-5-carboxamide is CC(C)(C)NC(=O)c1cnc(C(C)(C)C)s1.
What is the InChIKey of N,2-ditert-butyl-1,3-thiazole-5-carboxamide?
The InChIKey is DJUSYGYQGXWLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-11(2,3)10-13-7-8(16-10)9(15)14-12(4,5)6/h7H,1-6H3,(H,14,15).
What are the key properties of N,2-ditert-butyl-1,3-thiazole-5-carboxamide?
N,2-ditert-butyl-1,3-thiazole-5-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-ditert-butyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47398500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).