N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C19H17ClN4O2S — CID 55799328

IUPACN-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2sc(-c3ccccn3)nc2C)c1
InChIInChI=1S/C19H17ClN4O2S/c1-3-16(25)23-12-7-8-13(20)15(10-12)24-18(26)17-11(2)22-19(27-17)14-6-4-5-9-21-14/h4-10H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySJXGDAKMHYDESL-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.77
Rot. Bonds5

About N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55799328) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55799328
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2sc(-c3ccccn3)nc2C)c1
InChIInChI=1S/C19H17ClN4O2S/c1-3-16(25)23-12-7-8-13(20)15(10-12)24-18(26)17-11(2)22-19(27-17)14-6-4-5-9-21-14/h4-10H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySJXGDAKMHYDESL-UHFFFAOYSA-N
XLogP4.77
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9255638
N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
N-(3-acetamido-4-methoxyphenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 33308450
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 8927668
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26737436
N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17481163
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 38808470
4-methyl-2-pyridin-2-yl-N'-(2,4,6-trichlorophenyl)-1,3-thiazole-5-carbohydrazide
CID 26720800
4-methyl-2-pyridin-2-yl-N-quinolin-5-yl-1,3-thiazole-5-carboxamide
CID 86907870
N-(2-chlorophenyl)-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide
CID 857290
methyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 17488798
N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 41490350

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 55799328) is N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)c2sc(-c3ccccn3)nc2C)c1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is SJXGDAKMHYDESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c1-3-16(25)23-12-7-8-13(20)15(10-12)24-18(26)17-11(2)22-19(27-17)14-6-4-5-9-21-14/h4-10H,3H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55799328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).