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

C14H15F3N4OS — CID 71682057

IUPAC(2S)-N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2-methylbutanamide
SMILESCc1nc(NC(=O)[C@@H](C)CC(F)(F)F)sc1-c1ccc(N)nc1
InChIInChI=1S/C14H15F3N4OS/c1-7(5-14(15,16)17)12(22)21-13-20-8(2)11(23-13)9-3-4-10(18)19-6-9/h3-4,6-7H,5H2,1-2H3,(H2,18,19)(H,20,21,22)/t7-/m0/s1
InChIKeyIIFUCWPNUMIYRT-ZETCQYMHSA-N
MW344.36 g/mol
LogP3.62
Rot. Bonds4

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

(2S)-N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2-methylbutanamide (PubChem CID 71682057) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is (2S)-N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2-methylbutanamide
PubChem CID71682057
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name(2S)-N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2-methylbutanamide
SMILESCc1nc(NC(=O)[C@@H](C)CC(F)(F)F)sc1-c1ccc(N)nc1
InChIInChI=1S/C14H15F3N4OS/c1-7(5-14(15,16)17)12(22)21-13-20-8(2)11(23-13)9-3-4-10(18)19-6-9/h3-4,6-7H,5H2,1-2H3,(H2,18,19)(H,20,21,22)/t7-/m0/s1
InChIKeyIIFUCWPNUMIYRT-ZETCQYMHSA-N
XLogP3.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2-methylbutanamide?
The IUPAC name of (2S)-N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2-methylbutanamide (CID 71682057) is (2S)-N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2-methylbutanamide.
What is the SMILES notation for (2S)-N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2-methylbutanamide?
The canonical SMILES for (2S)-N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2-methylbutanamide is Cc1nc(NC(=O)[C@@H](C)CC(F)(F)F)sc1-c1ccc(N)nc1.
What is the InChIKey of (2S)-N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2-methylbutanamide?
The InChIKey is IIFUCWPNUMIYRT-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-7(5-14(15,16)17)12(22)21-13-20-8(2)11(23-13)9-3-4-10(18)19-6-9/h3-4,6-7H,5H2,1-2H3,(H2,18,19)(H,20,21,22)/t7-/m0/s1.
What are the key properties of (2S)-N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2-methylbutanamide?
(2S)-N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2-methylbutanamide has a molecular weight of 344.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4,4,4-trifluoro-2-methylbutanamide is sourced from PubChem (CID 71682057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).