5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C19H19N5O2S — CID 71061048

IUPAC5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1
InChIInChI=1S/C19H19N5O2S/c1-24(2)11-12-3-5-13(6-4-12)17(26)23-19-15(16(20)25)22-18(27-19)14-7-9-21-10-8-14/h3-10H,11H2,1-2H3,(H2,20,25)(H,23,26)
InChIKeyXDLOBCCVWSDDPG-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.62
Rot. Bonds6

About 5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 71061048) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID71061048
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1
InChIInChI=1S/C19H19N5O2S/c1-24(2)11-12-3-5-13(6-4-12)17(26)23-19-15(16(20)25)22-18(27-19)14-7-9-21-10-8-14/h3-10H,11H2,1-2H3,(H2,20,25)(H,23,26)
InChIKeyXDLOBCCVWSDDPG-UHFFFAOYSA-N
XLogP2.62
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 71061048) is 5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is CN(C)Cc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1.
What is the InChIKey of 5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XDLOBCCVWSDDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-24(2)11-12-3-5-13(6-4-12)17(26)23-19-15(16(20)25)22-18(27-19)14-7-9-21-10-8-14/h3-10H,11H2,1-2H3,(H2,20,25)(H,23,26).
What are the key properties of 5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(dimethylamino)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71061048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).