5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one

C15H17N3OS — CID 9343328

IUPAC5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESCC(C)CNc1nc(-c2ccc3c(c2)CC(=O)N3)cs1
InChIInChI=1S/C15H17N3OS/c1-9(2)7-16-15-18-13(8-20-15)10-3-4-12-11(5-10)6-14(19)17-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyMRAAQYWWIQWODO-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.37
Rot. Bonds4

About 5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one

5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (PubChem CID 9343328) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
PubChem CID9343328
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESCC(C)CNc1nc(-c2ccc3c(c2)CC(=O)N3)cs1
InChIInChI=1S/C15H17N3OS/c1-9(2)7-16-15-18-13(8-20-15)10-3-4-12-11(5-10)6-14(19)17-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyMRAAQYWWIQWODO-UHFFFAOYSA-N
XLogP3.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343342
5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343622
5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343382
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 7529091
acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 162316573
N-[3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565422
5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 29109545
5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 135570014
6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343413
3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile
CID 116866806
2-methyl-N-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110351164
N-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 110351108

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (CID 9343328) is 5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is CC(C)CNc1nc(-c2ccc3c(c2)CC(=O)N3)cs1.
What is the InChIKey of 5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is MRAAQYWWIQWODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9(2)7-16-15-18-13(8-20-15)10-3-4-12-11(5-10)6-14(19)17-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 287.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 9343328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).