3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one

C19H18N4OS2 — CID 23883390

IUPAC3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one
SMILESC/N=c1\scc(-c2cccs2)n1N=C1C(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C19H18N4OS2/c1-12(2)22-14-8-5-4-7-13(14)17(18(22)24)21-23-15(11-26-19(23)20-3)16-9-6-10-25-16/h4-12H,1-3H3/b20-19-,21-17?
InChIKeyINFOYIAWQVXDFH-WUMHKBSPSA-N
MW382.51 g/mol
LogP3.82
Rot. Bonds3

About 3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one

3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one (PubChem CID 23883390) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one.

Molecular Properties

Compound Name3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one
PubChem CID23883390
Molecular FormulaC19H18N4OS2
Molecular Weight382.51 g/mol
Exact Mass382.09
IUPAC Name3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one
SMILESC/N=c1\scc(-c2cccs2)n1N=C1C(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C19H18N4OS2/c1-12(2)22-14-8-5-4-7-13(14)17(18(22)24)21-23-15(11-26-19(23)20-3)16-9-6-10-25-16/h4-12H,1-3H3/b20-19-,21-17?
InChIKeyINFOYIAWQVXDFH-WUMHKBSPSA-N
XLogP3.82
TPSA49.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 6519189
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CID 6906118
CID 25854449
CID 25854449
CID 135721600
CID 135721600
CID 2571165
CID 2571165
CID 5694064
CID 5694064
CID 23731934
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CID 23733054
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CID 23763433
CID 23763433

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one?
The IUPAC name of 3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one (CID 23883390) is 3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one.
What is the SMILES notation for 3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one?
The canonical SMILES for 3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one is C/N=c1\scc(-c2cccs2)n1N=C1C(=O)N(C(C)C)c2ccccc21.
What is the InChIKey of 3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one?
The InChIKey is INFOYIAWQVXDFH-WUMHKBSPSA-N. The full InChI is InChI=1S/C19H18N4OS2/c1-12(2)22-14-8-5-4-7-13(14)17(18(22)24)21-23-15(11-26-19(23)20-3)16-9-6-10-25-16/h4-12H,1-3H3/b20-19-,21-17?.
What are the key properties of 3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one?
3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one has a molecular weight of 382.51 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)imino]-1-propan-2-ylindol-2-one is sourced from PubChem (CID 23883390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).