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

C23H20N4O2S — CID 15292701

IUPACN,N-dimethyl-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccccc21
InChIInChI=1S/C23H20N4O2S/c1-25(2)23(29)27-13-18(16-7-3-4-8-19(16)27)21(28)17-9-11-26-20(17)14-30-22(26)15-6-5-10-24-12-15/h3-13,22H,14H2,1-2H3
InChIKeyOWHDUHNEPXQFOQ-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.39
Rot. Bonds3

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

N,N-dimethyl-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide (PubChem CID 15292701) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide
PubChem CID15292701
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN,N-dimethyl-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccccc21
InChIInChI=1S/C23H20N4O2S/c1-25(2)23(29)27-13-18(16-7-3-4-8-19(16)27)21(28)17-9-11-26-20(17)14-30-22(26)15-6-5-10-24-12-15/h3-13,22H,14H2,1-2H3
InChIKeyOWHDUHNEPXQFOQ-UHFFFAOYSA-N
XLogP4.39
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 9957997
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CID 10324525
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(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-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide (CID 15292701) is N,N-dimethyl-3-(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-3-(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-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide is CN(C)C(=O)n1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccccc21.
What is the InChIKey of N,N-dimethyl-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide?
The InChIKey is OWHDUHNEPXQFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-25(2)23(29)27-13-18(16-7-3-4-8-19(16)27)21(28)17-9-11-26-20(17)14-30-22(26)15-6-5-10-24-12-15/h3-13,22H,14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide?
N,N-dimethyl-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide is sourced from PubChem (CID 15292701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).