4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide

C11H20N4OS2 — CID 116673320

IUPAC4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC(C)CSC)s1
InChIInChI=1S/C11H20N4OS2/c1-4-5-13-11-15-9(12)8(18-11)10(16)14-7(2)6-17-3/h7H,4-6,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyOWPIGQSRZLQYMJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.03
Rot. Bonds7

About 4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116673320) has the molecular formula C11H20N4OS2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116673320
Molecular FormulaC11H20N4OS2
Molecular Weight288.44 g/mol
Exact Mass288.11
IUPAC Name4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC(C)CSC)s1
InChIInChI=1S/C11H20N4OS2/c1-4-5-13-11-15-9(12)8(18-11)10(16)14-7(2)6-17-3/h7H,4-6,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyOWPIGQSRZLQYMJ-UHFFFAOYSA-N
XLogP2.03
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-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-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664063
4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 106233158
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667180
4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666462
4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663820
4-amino-2-(propylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672287
4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667150
4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671828
4-amino-N-(2-methylsulfanylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 107647427
4-amino-2-(2-methoxyethylamino)-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116663722
4-amino-N-(4-hydroxy-2-methylbutyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671133
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116673320) is 4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NC(C)CSC)s1.
What is the InChIKey of 4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is OWPIGQSRZLQYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS2/c1-4-5-13-11-15-9(12)8(18-11)10(16)14-7(2)6-17-3/h7H,4-6,12H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).