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

C12H22N4OS2 — CID 116672366

IUPAC4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)N(C)CCSC)s1
InChIInChI=1S/C12H22N4OS2/c1-5-6-16(3)12-14-10(13)9(19-12)11(17)15(2)7-8-18-4/h5-8,13H2,1-4H3
InChIKeyUVAYRGNKTPCRPZ-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.01
Rot. Bonds7

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

4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116672366) has the molecular formula C12H22N4OS2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
PubChem CID116672366
Molecular FormulaC12H22N4OS2
Molecular Weight302.47 g/mol
Exact Mass302.12
IUPAC Name4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)N(C)CCSC)s1
InChIInChI=1S/C12H22N4OS2/c1-5-6-16(3)12-14-10(13)9(19-12)11(17)15(2)7-8-18-4/h5-8,13H2,1-4H3
InChIKeyUVAYRGNKTPCRPZ-UHFFFAOYSA-N
XLogP2.01
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-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-(1-hydroxypropan-2-yl)-N-methyl-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672485
4-amino-N-(2-methyl-3-methylsulfanylpropyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116666557
4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 116664295
4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116663495
4-amino-2-[methyl(propyl)amino]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide
CID 106434208
4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116669734
4-amino-N-(3-methylbut-2-enyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106199031
4-amino-2-[methyl(propyl)amino]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669026
[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 116670981
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672818
4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
CID 116665037
4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide
CID 116669530

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide (CID 116672366) is 4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide is CCCN(C)c1nc(N)c(C(=O)N(C)CCSC)s1.
What is the InChIKey of 4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UVAYRGNKTPCRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS2/c1-5-6-16(3)12-14-10(13)9(19-12)11(17)15(2)7-8-18-4/h5-8,13H2,1-4H3.
What are the key properties of 4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide?
4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 302.47 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-[methyl(propyl)amino]-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).