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

C19H20ClN5OS — CID 118204326

IUPACN-[1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
SMILESCCCC(NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
InChIInChI=1S/C19H20ClN5OS/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h5-11,16H,3-4H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyQMMHYPPKJAWXON-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.91
Rot. Bonds7

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

N-[1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide (PubChem CID 118204326) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
PubChem CID118204326
Molecular FormulaC19H20ClN5OS
Molecular Weight401.92 g/mol
Exact Mass401.11
IUPAC NameN-[1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
SMILESCCCC(NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
InChIInChI=1S/C19H20ClN5OS/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h5-11,16H,3-4H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyQMMHYPPKJAWXON-UHFFFAOYSA-N
XLogP4.91
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide (CID 118204326) is N-[1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide is CCCC(NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1.
What is the InChIKey of N-[1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide?
The InChIKey is QMMHYPPKJAWXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h5-11,16H,3-4H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide?
N-[1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118204326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).