N-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide

C19H20ClN5OS — CID 122184233

IUPACN-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide
SMILESCCCN(Cc1cnc(Nc2ccc(C)nc2)c(Cl)c1)C(=O)c1nccs1
InChIInChI=1S/C19H20ClN5OS/c1-3-7-25(19(26)18-21-6-8-27-18)12-14-9-16(20)17(23-10-14)24-15-5-4-13(2)22-11-15/h4-6,8-11H,3,7,12H2,1-2H3,(H,23,24)
InChIKeyZISOUEKJJLDSFS-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.69
Rot. Bonds7

About N-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide

N-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide (PubChem CID 122184233) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide
PubChem CID122184233
Molecular FormulaC19H20ClN5OS
Molecular Weight401.92 g/mol
Exact Mass401.11
IUPAC NameN-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide
SMILESCCCN(Cc1cnc(Nc2ccc(C)nc2)c(Cl)c1)C(=O)c1nccs1
InChIInChI=1S/C19H20ClN5OS/c1-3-7-25(19(26)18-21-6-8-27-18)12-14-9-16(20)17(23-10-14)24-15-5-4-13(2)22-11-15/h4-6,8-11H,3,7,12H2,1-2H3,(H,23,24)
InChIKeyZISOUEKJJLDSFS-UHFFFAOYSA-N
XLogP4.69
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide (CID 122184233) is N-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide is CCCN(Cc1cnc(Nc2ccc(C)nc2)c(Cl)c1)C(=O)c1nccs1.
What is the InChIKey of N-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide?
The InChIKey is ZISOUEKJJLDSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c1-3-7-25(19(26)18-21-6-8-27-18)12-14-9-16(20)17(23-10-14)24-15-5-4-13(2)22-11-15/h4-6,8-11H,3,7,12H2,1-2H3,(H,23,24).
What are the key properties of N-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide?
N-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methyl]-N-propyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 122184233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).