(3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one

C19H17N3OS — CID 7447723

IUPAC(3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@H]1C(=O)Nc2ccc(-c3csc(NCc4ccccc4)n3)cc21
InChIInChI=1S/C19H17N3OS/c1-12-15-9-14(7-8-16(15)21-18(12)23)17-11-24-19(22-17)20-10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyHGNPCAYWBJLPTB-GFCCVEGCSA-N
MW335.43 g/mol
LogP4.48
Rot. Bonds4

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

(3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one (PubChem CID 7447723) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is (3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID7447723
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name(3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@H]1C(=O)Nc2ccc(-c3csc(NCc4ccccc4)n3)cc21
InChIInChI=1S/C19H17N3OS/c1-12-15-9-14(7-8-16(15)21-18(12)23)17-11-24-19(22-17)20-10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyHGNPCAYWBJLPTB-GFCCVEGCSA-N
XLogP4.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
CID 9421585
(3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9421764
(3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
CID 9421303
(3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9422912
2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine
CID 6502040
2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine
CID 7447734
N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine
CID 130556959
N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356285
N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 72720135
3-methyl-5-(2-methylphenyl)-1,3-dihydroindol-2-one
CID 82083874
6-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2468356
N-benzyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine dichloride
CID 25000777

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one (CID 7447723) is (3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one is C[C@H]1C(=O)Nc2ccc(-c3csc(NCc4ccccc4)n3)cc21.
What is the InChIKey of (3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is HGNPCAYWBJLPTB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-12-15-9-14(7-8-16(15)21-18(12)23)17-11-24-19(22-17)20-10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1.
What are the key properties of (3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one?
(3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 335.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 7447723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).