N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide

C15H17F3N4OS — CID 71682213

IUPACN-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide
SMILESCc1nc(NC(=O)C(C)(C)CC(F)(F)F)sc1-c1ccc(N)nc1
InChIInChI=1S/C15H17F3N4OS/c1-8-11(9-4-5-10(19)20-6-9)24-13(21-8)22-12(23)14(2,3)7-15(16,17)18/h4-6H,7H2,1-3H3,(H2,19,20)(H,21,22,23)
InChIKeyUGTHQAXCCBBNQW-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.01
Rot. Bonds4

About N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide

N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide (PubChem CID 71682213) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide
PubChem CID71682213
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC NameN-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide
SMILESCc1nc(NC(=O)C(C)(C)CC(F)(F)F)sc1-c1ccc(N)nc1
InChIInChI=1S/C15H17F3N4OS/c1-8-11(9-4-5-10(19)20-6-9)24-13(21-8)22-12(23)14(2,3)7-15(16,17)18/h4-6H,7H2,1-3H3,(H2,19,20)(H,21,22,23)
InChIKeyUGTHQAXCCBBNQW-UHFFFAOYSA-N
XLogP4.01
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide?
The IUPAC name of N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide (CID 71682213) is N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide.
What is the SMILES notation for N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide?
The canonical SMILES for N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide is Cc1nc(NC(=O)C(C)(C)CC(F)(F)F)sc1-c1ccc(N)nc1.
What is the InChIKey of N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide?
The InChIKey is UGTHQAXCCBBNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c1-8-11(9-4-5-10(19)20-6-9)24-13(21-8)22-12(23)14(2,3)7-15(16,17)18/h4-6H,7H2,1-3H3,(H2,19,20)(H,21,22,23).
What are the key properties of N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide?
N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide has a molecular weight of 358.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2,2-dimethylbutanamide is sourced from PubChem (CID 71682213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).