(2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone

C14H17N3OS — CID 47426199

IUPAC(2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCCc1ncc(C(=O)n2cccc/c2=N\C(C)C)s1
InChIInChI=1S/C14H17N3OS/c1-4-13-15-9-11(19-13)14(18)17-8-6-5-7-12(17)16-10(2)3/h5-10H,4H2,1-3H3/b16-12+
InChIKeyRGFNBOOUQRHGCW-FOWTUZBSSA-N
MW275.38 g/mol
LogP2.50
Rot. Bonds3

About (2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone

(2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone (PubChem CID 47426199) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
PubChem CID47426199
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCCc1ncc(C(=O)n2cccc/c2=N\C(C)C)s1
InChIInChI=1S/C14H17N3OS/c1-4-13-15-9-11(19-13)14(18)17-8-6-5-7-12(17)16-10(2)3/h5-10H,4H2,1-3H3/b16-12+
InChIKeyRGFNBOOUQRHGCW-FOWTUZBSSA-N
XLogP2.50
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone (CID 47426199) is (2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone.
What is the SMILES notation for (2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The canonical SMILES for (2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone is CCc1ncc(C(=O)n2cccc/c2=N\C(C)C)s1.
What is the InChIKey of (2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The InChIKey is RGFNBOOUQRHGCW-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-13-15-9-11(19-13)14(18)17-8-6-5-7-12(17)16-10(2)3/h5-10H,4H2,1-3H3/b16-12+.
What are the key properties of (2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
(2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone has a molecular weight of 275.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone is sourced from PubChem (CID 47426199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).