N-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide

C19H32N4O2S2 — CID 123464948

IUPACN-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1sc(C(N)=S)nc1C(=O)NCCCCCCCCCC(N)=O
InChIInChI=1S/C19H32N4O2S2/c1-13(2)12-14-16(23-19(27-14)17(21)26)18(25)22-11-9-7-5-3-4-6-8-10-15(20)24/h13H,3-12H2,1-2H3,(H2,20,24)(H2,21,26)(H,22,25)
InChIKeyJKJFDXBVJZFRQC-UHFFFAOYSA-N
MW412.63 g/mol
LogP3.31
Rot. Bonds14

About N-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide

N-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 123464948) has the molecular formula C19H32N4O2S2 and a molecular weight of 412.63 g/mol. Its IUPAC name is N-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID123464948
Molecular FormulaC19H32N4O2S2
Molecular Weight412.63 g/mol
Exact Mass412.20
IUPAC NameN-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1sc(C(N)=S)nc1C(=O)NCCCCCCCCCC(N)=O
InChIInChI=1S/C19H32N4O2S2/c1-13(2)12-14-16(23-19(27-14)17(21)26)18(25)22-11-9-7-5-3-4-6-8-10-15(20)24/h13H,3-12H2,1-2H3,(H2,20,24)(H2,21,26)(H,22,25)
InChIKeyJKJFDXBVJZFRQC-UHFFFAOYSA-N
XLogP3.31
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.63
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide (CID 123464948) is N-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide is CC(C)Cc1sc(C(N)=S)nc1C(=O)NCCCCCCCCCC(N)=O.
What is the InChIKey of N-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JKJFDXBVJZFRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2S2/c1-13(2)12-14-16(23-19(27-14)17(21)26)18(25)22-11-9-7-5-3-4-6-8-10-15(20)24/h13H,3-12H2,1-2H3,(H2,20,24)(H2,21,26)(H,22,25).
What are the key properties of N-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
N-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 412.63 g/mol, XLogP of 3.31, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123464948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).