5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

C11H20ClN3O2S2 — CID 120897476

IUPAC5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCCN(Cc1cnc(N)s1)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C11H19N3O2S2.ClH/c1-2-4-14(7-10-6-13-11(12)17-10)9-3-5-18(15,16)8-9;/h6,9H,2-5,7-8H2,1H3,(H2,12,13);1H
InChIKeySSBIMSNSORKLHQ-UHFFFAOYSA-N
MW325.89 g/mol
LogP1.55
Rot. Bonds5

About 5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120897476) has the molecular formula C11H20ClN3O2S2 and a molecular weight of 325.89 g/mol. Its IUPAC name is 5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120897476
Molecular FormulaC11H20ClN3O2S2
Molecular Weight325.89 g/mol
Exact Mass325.07
IUPAC Name5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCCN(Cc1cnc(N)s1)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C11H19N3O2S2.ClH/c1-2-4-14(7-10-6-13-11(12)17-10)9-3-5-18(15,16)8-9;/h6,9H,2-5,7-8H2,1H3,(H2,12,13);1H
InChIKeySSBIMSNSORKLHQ-UHFFFAOYSA-N
XLogP1.55
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.89
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine
CID 79772205
(3S)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,1-dioxo-N-propylthiolan-3-amine
CID 97332133
N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine
CID 75385897
N-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride
CID 120905833
5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120898292
5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine
CID 120899012
5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898662
N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine
CID 84593085
methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride
CID 120902091
(3R)-N-benzyl-N-butyl-1,1-dioxothiolan-3-amine
CID 129370820
(3S)-N-[(4-aminophenyl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 93463712
5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900881

Frequently Asked Questions

What is the IUPAC name of 5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120897476) is 5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is CCCN(Cc1cnc(N)s1)C1CCS(=O)(=O)C1.Cl.
What is the InChIKey of 5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is SSBIMSNSORKLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2.ClH/c1-2-4-14(7-10-6-13-11(12)17-10)9-3-5-18(15,16)8-9;/h6,9H,2-5,7-8H2,1H3,(H2,12,13);1H.
What are the key properties of 5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 325.89 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120897476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).