N,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide

C29H24N4O2S — CID 54165229

IUPACN,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide
SMILESCN(C)C(=O)n1c(C(=O)c2ccn3c2CSC3c2cccnc2)cc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C29H24N4O2S/c1-31(2)29(35)33-24-15-20(19-7-4-3-5-8-19)10-11-21(24)16-25(33)27(34)23-12-14-32-26(23)18-36-28(32)22-9-6-13-30-17-22/h3-17,28H,18H2,1-2H3
InChIKeyOREORYOVUNCPEP-UHFFFAOYSA-N
MW492.60 g/mol
LogP6.06
Rot. Bonds4

About N,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide

N,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide (PubChem CID 54165229) has the molecular formula C29H24N4O2S and a molecular weight of 492.60 g/mol. Its IUPAC name is N,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide
PubChem CID54165229
Molecular FormulaC29H24N4O2S
Molecular Weight492.60 g/mol
Exact Mass492.16
IUPAC NameN,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide
SMILESCN(C)C(=O)n1c(C(=O)c2ccn3c2CSC3c2cccnc2)cc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C29H24N4O2S/c1-31(2)29(35)33-24-15-20(19-7-4-3-5-8-19)10-11-21(24)16-25(33)27(34)23-12-14-32-26(23)18-36-28(32)22-9-6-13-30-17-22/h3-17,28H,18H2,1-2H3
InChIKeyOREORYOVUNCPEP-UHFFFAOYSA-N
XLogP6.06
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.60
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-phenyl-1H-indol-2-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone
CID 54447427
N-(6-methyl-2-pyridinyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21284366
N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21284358
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
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
(7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone
CID 15292730
[3-[(3R)-7-[1-(dimethylcarbamoyl)-6-(4-fluorophenyl)indole-3-carbonyl]-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-3-yl]pyridin-1-ium-1-yl]methyl benzoate
CID 10439555
N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21285578
N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21285592
3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
CID 67943740

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide?
The IUPAC name of 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) is N,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide?
The canonical SMILES for N,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide is CN(C)C(=O)n1c(C(=O)c2ccn3c2CSC3c2cccnc2)cc2ccc(-c3ccccc3)cc21.
What is the InChIKey of N,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide?
The InChIKey is OREORYOVUNCPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2S/c1-31(2)29(35)33-24-15-20(19-7-4-3-5-8-19)10-11-21(24)16-25(33)27(34)23-12-14-32-26(23)18-36-28(32)22-9-6-13-30-17-22/h3-17,28H,18H2,1-2H3.
What are the key properties of N,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide?
N,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-phenyl-2-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide is sourced from PubChem (CID 54165229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).