N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide

C21H22N4O2S — CID 171908662

IUPACN-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc(C(=O)NCc3sc(C)nc3C)ccc2C)n1
InChIInChI=1S/C21H22N4O2S/c1-12-8-9-16(20(26)22-11-19-14(3)24-15(4)28-19)10-18(12)25-21(27)17-7-5-6-13(2)23-17/h5-10H,11H2,1-4H3,(H,22,26)(H,25,27)
InChIKeyBKFSDJPZMMRNKY-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.95
Rot. Bonds5

About N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide

N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide (PubChem CID 171908662) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide
PubChem CID171908662
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc(C(=O)NCc3sc(C)nc3C)ccc2C)n1
InChIInChI=1S/C21H22N4O2S/c1-12-8-9-16(20(26)22-11-19-14(3)24-15(4)28-19)10-18(12)25-21(27)17-7-5-6-13(2)23-17/h5-10H,11H2,1-4H3,(H,22,26)(H,25,27)
InChIKeyBKFSDJPZMMRNKY-UHFFFAOYSA-N
XLogP3.95
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
CID 121122551
methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32642709
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid
CID 75482713
N-(5-amino-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 16781532
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121122678
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 121122821
3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395079
3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride
CID 119882710
2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 62787357
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 46411335
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide
CID 60532137

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide (CID 171908662) is N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cc(C(=O)NCc3sc(C)nc3C)ccc2C)n1.
What is the InChIKey of N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide?
The InChIKey is BKFSDJPZMMRNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-12-8-9-16(20(26)22-11-19-14(3)24-15(4)28-19)10-18(12)25-21(27)17-7-5-6-13(2)23-17/h5-10H,11H2,1-4H3,(H,22,26)(H,25,27).
What are the key properties of N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide?
N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 171908662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).