(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

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

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Related Compounds

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 115966049
2,2-dimethyl-1-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 134021678
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 26648334
N,4-dimethyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46666940
[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 94051410
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 26584846
[1-(N-methylanilino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 55427977
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 43073602
[1-(2-methylanilino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660296
2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 60832046
N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115744537

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).