4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C20H23N5O3S2 — CID 55870412

IUPAC4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
InChIInChI=1S/C20H23N5O3S2/c1-13(2)25-30(27,28)12-16-8-5-4-7-15(16)11-23-19(26)17-14(3)24-20(29-17)18-21-9-6-10-22-18/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)
InChIKeyKTCGDMRSBWCBDZ-UHFFFAOYSA-N
MW445.57 g/mol
LogP2.67
Rot. Bonds8

About 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55870412) has the molecular formula C20H23N5O3S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55870412
Molecular FormulaC20H23N5O3S2
Molecular Weight445.57 g/mol
Exact Mass445.12
IUPAC Name4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
InChIInChI=1S/C20H23N5O3S2/c1-13(2)25-30(27,28)12-16-8-5-4-7-15(16)11-23-19(26)17-14(3)24-20(29-17)18-21-9-6-10-22-18/h4-10,13,25H,11-12H2,1-3H3,(H,23,26)
InChIKeyKTCGDMRSBWCBDZ-UHFFFAOYSA-N
XLogP2.67
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
4-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55694926
3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55461142
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55873365
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51089635
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121288
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 94588634
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 55870412) is 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C.
What is the InChIKey of 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KTCGDMRSBWCBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S2/c1-13(2)25-30(27,28)12-16-8-5-4-7-15(16)11-23-19(26)17-14(3)24-20(29-17)18-21-9-6-10-22-18/h4-10,13,25H,11-12H2,1-3H3,(H,23,26).
What are the key properties of 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55870412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).