(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone

C17H17N3OS2 — CID 134026927

IUPAC(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)n1cccc/c1=N\C(C)C
InChIInChI=1S/C17H17N3OS2/c1-11(2)18-14-6-4-5-8-20(14)17(21)15-12(3)19-16(23-15)13-7-9-22-10-13/h4-11H,1-3H3/b18-14+
InChIKeyAXAKZRJUCUNPMX-NBVRZTHBSA-N
MW343.48 g/mol
LogP3.98
Rot. Bonds3

About (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone

(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone (PubChem CID 134026927) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
PubChem CID134026927
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)n1cccc/c1=N\C(C)C
InChIInChI=1S/C17H17N3OS2/c1-11(2)18-14-6-4-5-8-20(14)17(21)15-12(3)19-16(23-15)13-7-9-22-10-13/h4-11H,1-3H3/b18-14+
InChIKeyAXAKZRJUCUNPMX-NBVRZTHBSA-N
XLogP3.98
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The IUPAC name of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone (CID 134026927) is (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone.
What is the SMILES notation for (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The canonical SMILES for (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone is Cc1nc(-c2ccsc2)sc1C(=O)n1cccc/c1=N\C(C)C.
What is the InChIKey of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The InChIKey is AXAKZRJUCUNPMX-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-11(2)18-14-6-4-5-8-20(14)17(21)15-12(3)19-16(23-15)13-7-9-22-10-13/h4-11H,1-3H3/b18-14+.
What are the key properties of (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone has a molecular weight of 343.48 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone is sourced from PubChem (CID 134026927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).