N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide

C18H18N4OS — CID 5141935

IUPACN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)c3cnccn3)n2)cc1
InChIInChI=1S/C18H18N4OS/c1-18(2,3)13-6-4-12(5-7-13)15-11-24-17(21-15)22-16(23)14-10-19-8-9-20-14/h4-11H,1-3H3,(H,21,22,23)
InChIKeyVXUGSHQNQQUFMV-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.15
Rot. Bonds3

About N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 5141935) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
PubChem CID5141935
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)c3cnccn3)n2)cc1
InChIInChI=1S/C18H18N4OS/c1-18(2,3)13-6-4-12(5-7-13)15-11-24-17(21-15)22-16(23)14-10-19-8-9-20-14/h4-11H,1-3H3,(H,21,22,23)
InChIKeyVXUGSHQNQQUFMV-UHFFFAOYSA-N
XLogP4.15
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
Thiazovivin
CID 46209426
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
N-(4-methyl-1,3-thiazol-2-yl)quinoxaline-2-carboxamide
CID 9463355
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
N'-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 1963296
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide
CID 940243
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1164343
3-Pyridinecarboxamide, N-[4-(2-pyridinyl)-2-thiazolyl]-
CID 2576416
4-Thiazolecarboxamide, N-[5-[[[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]amino]thioxomethyl]amino]-2-pyridinyl]-
CID 3010086
2-methyl-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 4123718
N-[4-(2,4,6-Trimethylphenyl)-2-thiazolyl]-4-pyridinecarboxamide
CID 4812517

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 5141935) is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is CC(C)(C)c1ccc(-c2csc(NC(=O)c3cnccn3)n2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is VXUGSHQNQQUFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-18(2,3)13-6-4-12(5-7-13)15-11-24-17(21-15)22-16(23)14-10-19-8-9-20-14/h4-11H,1-3H3,(H,21,22,23).
What are the key properties of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 5141935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).