(6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C27H23N3S — CID 134153382

IUPAC(6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCn1cc(C[C@H]2CN3C(=N2)SC(c2ccccc2)=C3c2ccccc2)c2ccccc21
InChIInChI=1S/C27H23N3S/c1-29-17-21(23-14-8-9-15-24(23)29)16-22-18-30-25(19-10-4-2-5-11-19)26(31-27(30)28-22)20-12-6-3-7-13-20/h2-15,17,22H,16,18H2,1H3/t22-/m0/s1
InChIKeyIWNAFTRZAZMNHY-QFIPXVFZSA-N
MW421.57 g/mol
LogP6.03
Rot. Bonds4

About (6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

(6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 134153382) has the molecular formula C27H23N3S and a molecular weight of 421.57 g/mol. Its IUPAC name is (6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name(6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID134153382
Molecular FormulaC27H23N3S
Molecular Weight421.57 g/mol
Exact Mass421.16
IUPAC Name(6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCn1cc(C[C@H]2CN3C(=N2)SC(c2ccccc2)=C3c2ccccc2)c2ccccc21
InChIInChI=1S/C27H23N3S/c1-29-17-21(23-14-8-9-15-24(23)29)16-22-18-30-25(19-10-4-2-5-11-19)26(31-27(30)28-22)20-12-6-3-7-13-20/h2-15,17,22H,16,18H2,1H3/t22-/m0/s1
InChIKeyIWNAFTRZAZMNHY-QFIPXVFZSA-N
XLogP6.03
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole
CID 141427495
2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
CID 138398072
1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84625891
3-[(1-methylindol-3-yl)methyl]piperidin-4-one
CID 83488034
1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole
CID 162743380
2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one
CID 136502439
3-(2-bromoethyl)-1-methylindole
CID 13153306
3-(methoxymethyl)-1-methylindole
CID 18711466
6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
CID 50952803
N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284
(1R,9S)-11-[(1-methylindol-3-yl)methyl]-3-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 7052063

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of (6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 134153382) is (6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for (6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for (6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is Cn1cc(C[C@H]2CN3C(=N2)SC(c2ccccc2)=C3c2ccccc2)c2ccccc21.
What is the InChIKey of (6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is IWNAFTRZAZMNHY-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H23N3S/c1-29-17-21(23-14-8-9-15-24(23)29)16-22-18-30-25(19-10-4-2-5-11-19)26(31-27(30)28-22)20-12-6-3-7-13-20/h2-15,17,22H,16,18H2,1H3/t22-/m0/s1.
What are the key properties of (6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
(6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 421.57 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 134153382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).