N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide

C17H16N4O3S2 — CID 121122034

IUPACN-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide
SMILESCc1nc(-c2cccnc2)sc1CNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H16N4O3S2/c1-11-15(25-17(21-11)13-3-2-8-19-9-13)10-20-16(22)12-4-6-14(7-5-12)26(18,23)24/h2-9H,10H2,1H3,(H,20,22)(H2,18,23,24)
InChIKeyJJXJNBQHJPKHLU-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.09
Rot. Bonds5

About N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide

N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide (PubChem CID 121122034) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide
PubChem CID121122034
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide
SMILESCc1nc(-c2cccnc2)sc1CNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H16N4O3S2/c1-11-15(25-17(21-11)13-3-2-8-19-9-13)10-20-16(22)12-4-6-14(7-5-12)26(18,23)24/h2-9H,10H2,1H3,(H,20,22)(H2,18,23,24)
InChIKeyJJXJNBQHJPKHLU-UHFFFAOYSA-N
XLogP2.09
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121122153
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-1H-indole-6-carboxamide
CID 121122278
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 67080034
2,5-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122024
2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 121122150
2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122233
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide
CID 121122163
3,4-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122416
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122475
3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122441
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 56824094

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide (CID 121122034) is N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide is Cc1nc(-c2cccnc2)sc1CNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide?
The InChIKey is JJXJNBQHJPKHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-11-15(25-17(21-11)13-3-2-8-19-9-13)10-20-16(22)12-4-6-14(7-5-12)26(18,23)24/h2-9H,10H2,1H3,(H,20,22)(H2,18,23,24).
What are the key properties of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide?
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 121122034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).