N-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide

C14H16N4O2S — CID 46963841

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cnc(C(C)(C)C)nc2)n1
InChIInChI=1S/C14H16N4O2S/c1-8(19)10-7-21-13(17-10)18-11(20)9-5-15-12(16-6-9)14(2,3)4/h5-7H,1-4H3,(H,17,18,20)
InChIKeyLLHHSFKHRACPDT-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.69
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide (PubChem CID 46963841) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide
PubChem CID46963841
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cnc(C(C)(C)C)nc2)n1
InChIInChI=1S/C14H16N4O2S/c1-8(19)10-7-21-13(17-10)18-11(20)9-5-15-12(16-6-9)14(2,3)4/h5-7H,1-4H3,(H,17,18,20)
InChIKeyLLHHSFKHRACPDT-UHFFFAOYSA-N
XLogP2.69
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide (CID 46963841) is N-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide is CC(=O)c1csc(NC(=O)c2cnc(C(C)(C)C)nc2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide?
The InChIKey is LLHHSFKHRACPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8(19)10-7-21-13(17-10)18-11(20)9-5-15-12(16-6-9)14(2,3)4/h5-7H,1-4H3,(H,17,18,20).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-tert-butylpyrimidine-5-carboxamide is sourced from PubChem (CID 46963841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).