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

C27H21N3O2S — CID 15292730

IUPAC(7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone
SMILESO=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2c(OCc3ccccc3)cccc12
InChIInChI=1S/C27H21N3O2S/c31-26(21-11-13-30-23(21)17-33-27(30)19-8-5-12-28-14-19)22-15-29-25-20(22)9-4-10-24(25)32-16-18-6-2-1-3-7-18/h1-15,27,29H,16-17H2
InChIKeyPQROBSMDUDGELJ-UHFFFAOYSA-N
MW451.55 g/mol
LogP5.97
Rot. Bonds6

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

(7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone (PubChem CID 15292730) has the molecular formula C27H21N3O2S and a molecular weight of 451.55 g/mol. Its IUPAC name is (7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone.

Molecular Properties

Compound Name(7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone
PubChem CID15292730
Molecular FormulaC27H21N3O2S
Molecular Weight451.55 g/mol
Exact Mass451.14
IUPAC Name(7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone
SMILESO=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2c(OCc3ccccc3)cccc12
InChIInChI=1S/C27H21N3O2S/c31-26(21-11-13-30-23(21)17-33-27(30)19-8-5-12-28-14-19)22-15-29-25-20(22)9-4-10-24(25)32-16-18-6-2-1-3-7-18/h1-15,27,29H,16-17H2
InChIKeyPQROBSMDUDGELJ-UHFFFAOYSA-N
XLogP5.97
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21284358
(6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone
CID 54447427
3-(2-phenylethoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
CID 67943734
N-(6-methyl-2-pyridinyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21284366
(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59803810
N-methyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)acetamide
CID 139636589
N-[3-(4-methoxyphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21285586
ethyl 2-[3-[(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)amino]benzoyl]benzoate
CID 21285567
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
3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
CID 67943740
N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21285592

Frequently Asked Questions

What is the IUPAC name of (7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone?
The IUPAC name of (7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone (CID 15292730) is (7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone.
What is the SMILES notation for (7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone?
The canonical SMILES for (7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone is O=C(c1ccn2c1CSC2c1cccnc1)c1c[nH]c2c(OCc3ccccc3)cccc12.
What is the InChIKey of (7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone?
The InChIKey is PQROBSMDUDGELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O2S/c31-26(21-11-13-30-23(21)17-33-27(30)19-8-5-12-28-14-19)22-15-29-25-20(22)9-4-10-24(25)32-16-18-6-2-1-3-7-18/h1-15,27,29H,16-17H2.
What are the key properties of (7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone?
(7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone has a molecular weight of 451.55 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone is sourced from PubChem (CID 15292730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).