(4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone

C12H11N3OS — CID 117218797

IUPAC(4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESNc1cnsc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C12H11N3OS/c13-9-7-14-17-11(9)12(16)15-6-5-8-3-1-2-4-10(8)15/h1-4,7H,5-6,13H2
InChIKeyFPYSRALMYZQXSP-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.93
Rot. Bonds1

About (4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone

(4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 117218797) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is (4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID117218797
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name(4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESNc1cnsc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C12H11N3OS/c13-9-7-14-17-11(9)12(16)15-6-5-8-3-1-2-4-10(8)15/h1-4,7H,5-6,13H2
InChIKeyFPYSRALMYZQXSP-UHFFFAOYSA-N
XLogP1.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 61090033
(5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 117213473
5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 117214703
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 23999221
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone
CID 110856972
(2-aminothiophen-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117213470
(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16795435
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
(2-amino-1,3-oxazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 110857028
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375
(4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 66120055

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone (CID 117218797) is (4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone is Nc1cnsc1C(=O)N1CCc2ccccc21.
What is the InChIKey of (4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is FPYSRALMYZQXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c13-9-7-14-17-11(9)12(16)15-6-5-8-3-1-2-4-10(8)15/h1-4,7H,5-6,13H2.
What are the key properties of (4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone?
(4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 245.31 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 117218797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).