2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide

C12H14N4O3S2 — CID 62793257

IUPAC2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C12H14N4O3S2/c1-7-10(20-12(13)15-7)11(17)16-9-4-2-8(3-5-9)6-21(14,18)19/h2-5H,6H2,1H3,(H2,13,15)(H,16,17)(H2,14,18,19)
InChIKeyCWYYIMGHSRQJJS-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.07
Rot. Bonds4

About 2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 62793257) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID62793257
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Name2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C12H14N4O3S2/c1-7-10(20-12(13)15-7)11(17)16-9-4-2-8(3-5-9)6-21(14,18)19/h2-5H,6H2,1H3,(H2,13,15)(H,16,17)(H2,14,18,19)
InChIKeyCWYYIMGHSRQJJS-UHFFFAOYSA-N
XLogP1.07
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[4-(2-hydroxyethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116150
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794096
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794412
2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729
2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62793426
2-amino-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 62794262
(E)-3-[4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115342282
2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114222286
6-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 60727200
2-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-3-carboxamide
CID 78950943

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 62793257) is 2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)Nc1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of 2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CWYYIMGHSRQJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c1-7-10(20-12(13)15-7)11(17)16-9-4-2-8(3-5-9)6-21(14,18)19/h2-5H,6H2,1H3,(H2,13,15)(H,16,17)(H2,14,18,19).
What are the key properties of 2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62793257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).