3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile

C15H13ClN4OS — CID 133285067

IUPAC3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile
SMILESCC(Nc1snc(Cl)c1C#N)C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H13ClN4OS/c1-9(18-14-11(8-17)13(16)19-22-14)15(21)20-7-6-10-4-2-3-5-12(10)20/h2-5,9,18H,6-7H2,1H3
InChIKeyRQUCCPKTLHMAKT-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.06
Rot. Bonds3

About 3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile

3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile (PubChem CID 133285067) has the molecular formula C15H13ClN4OS and a molecular weight of 332.82 g/mol. Its IUPAC name is 3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile
PubChem CID133285067
Molecular FormulaC15H13ClN4OS
Molecular Weight332.82 g/mol
Exact Mass332.05
IUPAC Name3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile
SMILESCC(Nc1snc(Cl)c1C#N)C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H13ClN4OS/c1-9(18-14-11(8-17)13(16)19-22-14)15(21)20-7-6-10-4-2-3-5-12(10)20/h2-5,9,18H,6-7H2,1H3
InChIKeyRQUCCPKTLHMAKT-UHFFFAOYSA-N
XLogP3.06
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile with MolForge

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Related Compounds

2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 133285141
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one
CID 8024233
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one
CID 37303828
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide
CID 86861188
(2R)-2-(1,3-benzodioxol-5-ylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7509416
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9356889
1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 133285179
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile (CID 133285067) is 3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile is CC(Nc1snc(Cl)c1C#N)C(=O)N1CCc2ccccc21.
What is the InChIKey of 3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile?
The InChIKey is RQUCCPKTLHMAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS/c1-9(18-14-11(8-17)13(16)19-22-14)15(21)20-7-6-10-4-2-3-5-12(10)20/h2-5,9,18H,6-7H2,1H3.
What are the key properties of 3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile has a molecular weight of 332.82 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133285067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).