(6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone

C26H19N3OS — CID 54447427

IUPAC(6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone
SMILESO=C(c1cc2ccc(-c3ccccc3)cc2[nH]1)c1ccn2c1CSC2c1cccnc1
InChIInChI=1S/C26H19N3OS/c30-25(21-10-12-29-24(21)16-31-26(29)20-7-4-11-27-15-20)23-14-19-9-8-18(13-22(19)28-23)17-5-2-1-3-6-17/h1-15,26,28H,16H2
InChIKeyWSNDSYUZAXAWJA-UHFFFAOYSA-N
MW421.53 g/mol
LogP6.06
Rot. Bonds4

About (6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone

(6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone (PubChem CID 54447427) has the molecular formula C26H19N3OS and a molecular weight of 421.53 g/mol. Its IUPAC name is (6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone.

Molecular Properties

Compound Name(6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone
PubChem CID54447427
Molecular FormulaC26H19N3OS
Molecular Weight421.53 g/mol
Exact Mass421.12
IUPAC Name(6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone
SMILESO=C(c1cc2ccc(-c3ccccc3)cc2[nH]1)c1ccn2c1CSC2c1cccnc1
InChIInChI=1S/C26H19N3OS/c30-25(21-10-12-29-24(21)16-31-26(29)20-7-4-11-27-15-20)23-14-19-9-8-18(13-22(19)28-23)17-5-2-1-3-6-17/h1-15,26,28H,16H2
InChIKeyWSNDSYUZAXAWJA-UHFFFAOYSA-N
XLogP6.06
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.53
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide
CID 54165229
N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21284358
(7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone
CID 15292730
N-(6-methyl-2-pyridinyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21284366
N-methyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)acetamide
CID 139636589
N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21285592
N-[3-(4-methoxyphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21285586
N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21285578
3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
CID 67943740
3-benzamido-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide;hydrate
CID 67943731
methyl N-[6-phenylmethoxy-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carbonyl]carbamate
CID 15292740
ethyl 2-[3-[(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)amino]benzoyl]benzoate
CID 21285567

Frequently Asked Questions

What is the IUPAC name of (6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone?
The IUPAC name of (6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone (CID 54447427) is (6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone.
What is the SMILES notation for (6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone?
The canonical SMILES for (6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone is O=C(c1cc2ccc(-c3ccccc3)cc2[nH]1)c1ccn2c1CSC2c1cccnc1.
What is the InChIKey of (6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone?
The InChIKey is WSNDSYUZAXAWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3OS/c30-25(21-10-12-29-24(21)16-31-26(29)20-7-4-11-27-15-20)23-14-19-9-8-18(13-22(19)28-23)17-5-2-1-3-6-17/h1-15,26,28H,16H2.
What are the key properties of (6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone?
(6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone has a molecular weight of 421.53 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone is sourced from PubChem (CID 54447427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).