2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide

C9H15N3O3S2 — CID 100772934

IUPAC2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(NS(C)(=O)=O)nc1C
InChIInChI=1S/C9H15N3O3S2/c1-4-5-10-8(13)7-6(2)11-9(16-7)12-17(3,14)15/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyRZKDYDIUZZNBQD-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.96
Rot. Bonds5

About 2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide

2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 100772934) has the molecular formula C9H15N3O3S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID100772934
Molecular FormulaC9H15N3O3S2
Molecular Weight277.37 g/mol
Exact Mass277.06
IUPAC Name2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(NS(C)(=O)=O)nc1C
InChIInChI=1S/C9H15N3O3S2/c1-4-5-10-8(13)7-6(2)11-9(16-7)12-17(3,14)15/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyRZKDYDIUZZNBQD-UHFFFAOYSA-N
XLogP0.96
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide
CID 133159057
ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
CID 2989996
N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
CID 100773344
4-methyl-2-[(4-methylphenyl)carbamoylamino]-N-propyl-1,3-thiazole-5-carboxamide
CID 16897288
2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 53200102
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 16944507
N-(3-chloro-2-methylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
CID 100773126
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 16944803
2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 104872462
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide
CID 166273875
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 16944617

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (CID 100772934) is 2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1sc(NS(C)(=O)=O)nc1C.
What is the InChIKey of 2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is RZKDYDIUZZNBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S2/c1-4-5-10-8(13)7-6(2)11-9(16-7)12-17(3,14)15/h4-5H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 100772934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).