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

C11H14N4OS — CID 110475330

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2cnc[nH]2)n1
InChIInChI=1S/C11H14N4OS/c1-11(2,3)8-5-17-10(14-8)15-9(16)7-4-12-6-13-7/h4-6H,1-3H3,(H,12,13)(H,14,15,16)
InChIKeyLCGHQMUYJLMOKE-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.42
Rot. Bonds2

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

N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide (PubChem CID 110475330) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
PubChem CID110475330
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2cnc[nH]2)n1
InChIInChI=1S/C11H14N4OS/c1-11(2,3)8-5-17-10(14-8)15-9(16)7-4-12-6-13-7/h4-6H,1-3H3,(H,12,13)(H,14,15,16)
InChIKeyLCGHQMUYJLMOKE-UHFFFAOYSA-N
XLogP2.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 54960547
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide
CID 105071707
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 81316674
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62237194
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 78948952
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
CID 103956653
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467861
5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 60725123
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 86975559
2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79322066

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide (CID 110475330) is N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide is CC(C)(C)c1csc(NC(=O)c2cnc[nH]2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide?
The InChIKey is LCGHQMUYJLMOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-11(2,3)8-5-17-10(14-8)15-9(16)7-4-12-6-13-7/h4-6H,1-3H3,(H,12,13)(H,14,15,16).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 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)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110475330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).