2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide

C13H19N3OS2 — CID 143290606

IUPAC2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESC=CNC(=S)c1nc(C(=O)N(C)C)c(CC(C)C)s1
InChIInChI=1S/C13H19N3OS2/c1-6-14-11(18)12-15-10(13(17)16(4)5)9(19-12)7-8(2)3/h6,8H,1,7H2,2-5H3,(H,14,18)
InChIKeyGSDANGRYIQTWBW-UHFFFAOYSA-N
MW297.45 g/mol
LogP2.45
Rot. Bonds5

About 2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide

2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 143290606) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID143290606
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC Name2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESC=CNC(=S)c1nc(C(=O)N(C)C)c(CC(C)C)s1
InChIInChI=1S/C13H19N3OS2/c1-6-14-11(18)12-15-10(13(17)16(4)5)9(19-12)7-8(2)3/h6,8H,1,7H2,2-5H3,(H,14,18)
InChIKeyGSDANGRYIQTWBW-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-carbamothioyl-5-cyclopropyl-N-(6,6,6-trifluoro-5-iminohexyl)-1,3-thiazole-4-carboxamide
CID 126546910
methyl 5-cyclopropyl-N-[(E)-prop-1-enyl]-4-[(6,6,6-trifluoro-5-oxohexyl)carbamoyl]-1,3-thiazole-2-carboximidothioate
CID 130348561
2-(2,3-dihydro-1,3-thiazol-2-yl)-5-(2-methylpropyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1,3-thiazole-4-carboxamide
CID 130348666
5-cyclopropyl-2-(2,3-dihydro-1,3-thiazol-2-yl)-N-(6,6,6-trifluoro-5-oxohexyl)-1,3-thiazole-4-carboxamide
CID 144935370
N,N-diethyl-2-methyl-5-propyl-1,3-thiazole-4-carboxamide
CID 13835321
N-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 53257647
5-Cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
CID 68943192
2-Amino-5-cyclopropyl-N-ethyl-4-thiazolecarboxamide
CID 118009395
N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-[1-(propylamino)-2-sulfanylideneethyl]-1,3-thiazole-4-carboxamide
CID 123383453
N-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 123464948
5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7-trimethyl-4,5-dihydrothiepin-2-yl)-1,3-thiazole-4-carboxamide
CID 123626845
2-carbamothioyl-5-cyclopropyl-N-[8-(hydroxyamino)-8-oxooctyl]-1,3-thiazole-4-carboxamide
CID 123778218

Frequently Asked Questions

What is the IUPAC name of 2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide (CID 143290606) is 2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide is C=CNC(=S)c1nc(C(=O)N(C)C)c(CC(C)C)s1.
What is the InChIKey of 2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GSDANGRYIQTWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS2/c1-6-14-11(18)12-15-10(13(17)16(4)5)9(19-12)7-8(2)3/h6,8H,1,7H2,2-5H3,(H,14,18).
What are the key properties of 2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 297.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 143290606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).