N-tert-butyl-1,3-thiazole-4-carboxamide

C8H12N2OS — CID 63037730

IUPACN-tert-butyl-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cscn1
InChIInChI=1S/C8H12N2OS/c1-8(2,3)10-7(11)6-4-12-5-9-6/h4-5H,1-3H3,(H,10,11)
InChIKeyDGNGVWAAEXKRPN-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.67
Rot. Bonds1

About N-tert-butyl-1,3-thiazole-4-carboxamide

N-tert-butyl-1,3-thiazole-4-carboxamide (PubChem CID 63037730) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-tert-butyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1,3-thiazole-4-carboxamide
PubChem CID63037730
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-tert-butyl-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cscn1
InChIInChI=1S/C8H12N2OS/c1-8(2,3)10-7(11)6-4-12-5-9-6/h4-5H,1-3H3,(H,10,11)
InChIKeyDGNGVWAAEXKRPN-UHFFFAOYSA-N
XLogP1.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-tert-butyl-1,3-thiazole-4-carboxamide (CID 63037730) is N-tert-butyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-tert-butyl-1,3-thiazole-4-carboxamide is CC(C)(C)NC(=O)c1cscn1.
What is the InChIKey of N-tert-butyl-1,3-thiazole-4-carboxamide?
The InChIKey is DGNGVWAAEXKRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-8(2,3)10-7(11)6-4-12-5-9-6/h4-5H,1-3H3,(H,10,11).
What are the key properties of N-tert-butyl-1,3-thiazole-4-carboxamide?
N-tert-butyl-1,3-thiazole-4-carboxamide has a molecular weight of 184.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63037730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).