N,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide

C19H16N4OS — CID 11552002

IUPACN,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide
SMILESCN(C)C(=O)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1
InChIInChI=1S/C19H16N4OS/c1-23(2)19(24)18-22-16(11-25-18)15-10-21-17-14(15)8-13(9-20-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,21)
InChIKeyFNYSYOFGSDLRKW-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.06
Rot. Bonds3

About N,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide

N,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide (PubChem CID 11552002) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide
PubChem CID11552002
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide
SMILESCN(C)C(=O)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1
InChIInChI=1S/C19H16N4OS/c1-23(2)19(24)18-22-16(11-25-18)15-10-21-17-14(15)8-13(9-20-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,21)
InChIKeyFNYSYOFGSDLRKW-UHFFFAOYSA-N
XLogP4.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide (CID 11552002) is N,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide is CN(C)C(=O)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.
What is the InChIKey of N,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is FNYSYOFGSDLRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-23(2)19(24)18-22-16(11-25-18)15-10-21-17-14(15)8-13(9-20-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,21).
What are the key properties of N,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide?
N,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 11552002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).