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

C23H19ClN4O2S — CID 15292718

IUPAC6-chloro-N,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)c2ccc(Cl)cc21
InChIInChI=1S/C23H19ClN4O2S/c1-26(2)23(30)28-12-18(16-6-5-15(24)10-19(16)28)21(29)17-7-9-27-20(17)13-31-22(27)14-4-3-8-25-11-14/h3-12,22H,13H2,1-2H3
InChIKeyKFUOJTXZZMYJNA-UHFFFAOYSA-N
MW450.95 g/mol
LogP5.05
Rot. Bonds3

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

6-chloro-N,N-dimethyl-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide (PubChem CID 15292718) has the molecular formula C23H19ClN4O2S and a molecular weight of 450.95 g/mol. Its IUPAC name is 6-chloro-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 Name6-chloro-N,N-dimethyl-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide
PubChem CID15292718
Molecular FormulaC23H19ClN4O2S
Molecular Weight450.95 g/mol
Exact Mass450.09
IUPAC Name6-chloro-N,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)c2ccc(Cl)cc21
InChIInChI=1S/C23H19ClN4O2S/c1-26(2)23(30)28-12-18(16-6-5-15(24)10-19(16)28)21(29)17-7-9-27-20(17)13-31-22(27)14-4-3-8-25-11-14/h3-12,22H,13H2,1-2H3
InChIKeyKFUOJTXZZMYJNA-UHFFFAOYSA-N
XLogP5.05
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-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 6-chloro-N,N-dimethyl-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide (CID 15292718) is 6-chloro-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 6-chloro-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 6-chloro-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)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-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 KFUOJTXZZMYJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2S/c1-26(2)23(30)28-12-18(16-6-5-15(24)10-19(16)28)21(29)17-7-9-27-20(17)13-31-22(27)14-4-3-8-25-11-14/h3-12,22H,13H2,1-2H3.
What are the key properties of 6-chloro-N,N-dimethyl-3-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-carboxamide?
6-chloro-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 450.95 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-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 15292718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).