4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide

C11H16N4O2S3 — CID 167900557

IUPAC4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide
SMILESCCC(Nc1nc(C)c(S(N)(=O)=O)s1)c1nc(C)cs1
InChIInChI=1S/C11H16N4O2S3/c1-4-8(9-13-6(2)5-18-9)15-11-14-7(3)10(19-11)20(12,16)17/h5,8H,4H2,1-3H3,(H,14,15)(H2,12,16,17)
InChIKeyDJWORGVJPVYXFB-UHFFFAOYSA-N
MW332.48 g/mol
LogP2.43
Rot. Bonds5

About 4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide

4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 167900557) has the molecular formula C11H16N4O2S3 and a molecular weight of 332.48 g/mol. Its IUPAC name is 4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide
PubChem CID167900557
Molecular FormulaC11H16N4O2S3
Molecular Weight332.48 g/mol
Exact Mass332.04
IUPAC Name4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide
SMILESCCC(Nc1nc(C)c(S(N)(=O)=O)s1)c1nc(C)cs1
InChIInChI=1S/C11H16N4O2S3/c1-4-8(9-13-6(2)5-18-9)15-11-14-7(3)10(19-11)20(12,16)17/h5,8H,4H2,1-3H3,(H,14,15)(H2,12,16,17)
InChIKeyDJWORGVJPVYXFB-UHFFFAOYSA-N
XLogP2.43
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine
CID 115887446
(2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 122049266
2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 61333036
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid
CID 119133807
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
CID 119879076
4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide
CID 82842347
2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63947257

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide (CID 167900557) is 4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide is CCC(Nc1nc(C)c(S(N)(=O)=O)s1)c1nc(C)cs1.
What is the InChIKey of 4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is DJWORGVJPVYXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S3/c1-4-8(9-13-6(2)5-18-9)15-11-14-7(3)10(19-11)20(12,16)17/h5,8H,4H2,1-3H3,(H,14,15)(H2,12,16,17).
What are the key properties of 4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide?
4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 332.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 167900557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).