N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide

C15H18N2O3S2 — CID 47048130

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide
SMILESCc1csc(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)n1
InChIInChI=1S/C15H18N2O3S2/c1-10(2)22(19,20)13-6-4-12(5-7-13)15(18)16-8-14-17-11(3)9-21-14/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyCZJCRMMOIKPWIE-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.56
Rot. Bonds5

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide (PubChem CID 47048130) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide
PubChem CID47048130
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide
SMILESCc1csc(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)n1
InChIInChI=1S/C15H18N2O3S2/c1-10(2)22(19,20)13-6-4-12(5-7-13)15(18)16-8-14-17-11(3)9-21-14/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyCZJCRMMOIKPWIE-UHFFFAOYSA-N
XLogP2.56
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(4-propan-2-ylsulfonylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244921
4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 51315975
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709417
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60725191
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55534295
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51291464
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448940
N-methyl-N-propan-2-yl-4-[[(4-propan-2-ylsulfonylbenzoyl)amino]methyl]benzamide
CID 55760436
5-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
CID 63858903
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 60722044

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide (CID 47048130) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide is Cc1csc(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide?
The InChIKey is CZJCRMMOIKPWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-10(2)22(19,20)13-6-4-12(5-7-13)15(18)16-8-14-17-11(3)9-21-14/h4-7,9-10H,8H2,1-3H3,(H,16,18).
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 47048130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).