2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide

C10H15N3OS — CID 115740323

IUPAC2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide
SMILESC=CCC(C)NC(=O)c1csc(CN)n1
InChIInChI=1S/C10H15N3OS/c1-3-4-7(2)12-10(14)8-6-15-9(5-11)13-8/h3,6-7H,1,4-5,11H2,2H3,(H,12,14)
InChIKeyAPQNLVDQSNJTLB-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.30
Rot. Bonds5

About 2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 115740323) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide
PubChem CID115740323
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide
SMILESC=CCC(C)NC(=O)c1csc(CN)n1
InChIInChI=1S/C10H15N3OS/c1-3-4-7(2)12-10(14)8-6-15-9(5-11)13-8/h3,6-7H,1,4-5,11H2,2H3,(H,12,14)
InChIKeyAPQNLVDQSNJTLB-UHFFFAOYSA-N
XLogP1.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228
2-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66380626
2-(aminomethyl)-N-(4-amino-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740649
2-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740091
2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119791060
methyl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]butanoate;hydrochloride
CID 119695198
2-(aminomethyl)-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81359342
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
(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 79036145
2-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81363190

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide (CID 115740323) is 2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide is C=CCC(C)NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is APQNLVDQSNJTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-3-4-7(2)12-10(14)8-6-15-9(5-11)13-8/h3,6-7H,1,4-5,11H2,2H3,(H,12,14).
What are the key properties of 2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 115740323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).