2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide

C10H15N3OS2 — CID 104872441

IUPAC2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide
SMILESC=CCSCCNC(=O)c1sc(N)nc1C
InChIInChI=1S/C10H15N3OS2/c1-3-5-15-6-4-12-9(14)8-7(2)13-10(11)16-8/h3H,1,4-6H2,2H3,(H2,11,13)(H,12,14)
InChIKeyJYHLTAZGKAJFLX-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.68
Rot. Bonds6

About 2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 104872441) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide
PubChem CID104872441
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide
SMILESC=CCSCCNC(=O)c1sc(N)nc1C
InChIInChI=1S/C10H15N3OS2/c1-3-5-15-6-4-12-9(14)8-7(2)13-10(11)16-8/h3H,1,4-6H2,2H3,(H2,11,13)(H,12,14)
InChIKeyJYHLTAZGKAJFLX-UHFFFAOYSA-N
XLogP1.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64910587
2-amino-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794778
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid
CID 107836028
4-amino-2-piperazin-1-yl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 106434169
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 66168708
2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 104872462
2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 62794600
5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425136
2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 106175161
3-amino-4-fluoro-N-(2-prop-2-enylsulfanylethyl)-1-benzothiophene-2-carboxamide
CID 106433548
4-amino-2-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425113

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide (CID 104872441) is 2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide is C=CCSCCNC(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JYHLTAZGKAJFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-3-5-15-6-4-12-9(14)8-7(2)13-10(11)16-8/h3H,1,4-6H2,2H3,(H2,11,13)(H,12,14).
What are the key properties of 2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 104872441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).