4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde

C13H11ClN2OS — CID 80687417

IUPAC4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1Cc2ccccc2N1c1nc(Cl)c(C=O)s1
InChIInChI=1S/C13H11ClN2OS/c1-8-6-9-4-2-3-5-10(9)16(8)13-15-12(14)11(7-17)18-13/h2-5,7-8H,6H2,1H3
InChIKeyJXACKWYDZLRUCZ-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.69
Rot. Bonds2

About 4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde

4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 80687417) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is 4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID80687417
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1Cc2ccccc2N1c1nc(Cl)c(C=O)s1
InChIInChI=1S/C13H11ClN2OS/c1-8-6-9-4-2-3-5-10(9)16(8)13-15-12(14)11(7-17)18-13/h2-5,7-8H,6H2,1H3
InChIKeyJXACKWYDZLRUCZ-UHFFFAOYSA-N
XLogP3.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
CID 80687390
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carbaldehyde
CID 66336040
2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole
CID 102749863
4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
CID 79398878
1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole
CID 81037118
3-[4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]propanoic acid
CID 82161972
7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51727342
3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde
CID 63051201
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 80754131
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 80974333
1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 79075954
4-chloro-N,N-dimethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 62869999

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde (CID 80687417) is 4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde is CC1Cc2ccccc2N1c1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is JXACKWYDZLRUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c1-8-6-9-4-2-3-5-10(9)16(8)13-15-12(14)11(7-17)18-13/h2-5,7-8H,6H2,1H3.
What are the key properties of 4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 278.76 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80687417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).