4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C11H20N4O3S2 — CID 116671321

IUPAC4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)N(C)CCS(C)(=O)=O)s1
InChIInChI=1S/C11H20N4O3S2/c1-7(2)13-11-14-9(12)8(19-11)10(16)15(3)5-6-20(4,17)18/h7H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyZFDBCAJDKGFMTP-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.66
Rot. Bonds6

About 4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116671321) has the molecular formula C11H20N4O3S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116671321
Molecular FormulaC11H20N4O3S2
Molecular Weight320.44 g/mol
Exact Mass320.10
IUPAC Name4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)N(C)CCS(C)(=O)=O)s1
InChIInChI=1S/C11H20N4O3S2/c1-7(2)13-11-14-9(12)8(19-11)10(16)15(3)5-6-20(4,17)18/h7H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyZFDBCAJDKGFMTP-UHFFFAOYSA-N
XLogP0.66
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666292
4-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669861
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669894
4-amino-N-methyl-N-pentan-3-yl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116670351
4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106343623
4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664669
4-amino-N-propan-2-yl-2-(propan-2-ylamino)-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672134
4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664452
4-amino-N-butan-2-yl-N-butyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664402
methyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674032
4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664503
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116665759

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116671321) is 4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)N(C)CCS(C)(=O)=O)s1.
What is the InChIKey of 4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is ZFDBCAJDKGFMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S2/c1-7(2)13-11-14-9(12)8(19-11)10(16)15(3)5-6-20(4,17)18/h7H,5-6,12H2,1-4H3,(H,13,14).
What are the key properties of 4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-methylsulfonylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).