2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride

C11H20ClN3OS2 — CID 119791060

IUPAC2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCSCCC(C)NC(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C11H19N3OS2.ClH/c1-3-16-5-4-8(2)13-11(15)9-7-17-10(6-12)14-9;/h7-8H,3-6,12H2,1-2H3,(H,13,15);1H
InChIKeyBMPRHKBNBNACPP-UHFFFAOYSA-N
MW309.89 g/mol
LogP2.29
Rot. Bonds7

About 2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119791060) has the molecular formula C11H20ClN3OS2 and a molecular weight of 309.89 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119791060
Molecular FormulaC11H20ClN3OS2
Molecular Weight309.89 g/mol
Exact Mass309.07
IUPAC Name2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCSCCC(C)NC(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C11H19N3OS2.ClH/c1-3-16-5-4-8(2)13-11(15)9-7-17-10(6-12)14-9;/h7-8H,3-6,12H2,1-2H3,(H,13,15);1H
InChIKeyBMPRHKBNBNACPP-UHFFFAOYSA-N
XLogP2.29
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740091
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228
2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide
CID 115740323
2-(aminomethyl)-N-(4-amino-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740649
methyl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]butanoate;hydrochloride
CID 119695198
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
2-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66380626
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779356
methyl (2S,3S)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoate;hydrochloride
CID 119748437
2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66377259
2-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 119757986

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119791060) is 2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is CCSCCC(C)NC(=O)c1csc(CN)n1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is BMPRHKBNBNACPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2.ClH/c1-3-16-5-4-8(2)13-11(15)9-7-17-10(6-12)14-9;/h7-8H,3-6,12H2,1-2H3,(H,13,15);1H.
What are the key properties of 2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 309.89 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119791060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).