4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride

C13H24ClN5OS — CID 120898361

IUPAC4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCN(Cc2cnc(N)s2)CC1.Cl
InChIInChI=1S/C13H23N5OS.ClH/c1-3-17(4-2)13(19)18-7-5-16(6-8-18)10-11-9-15-12(14)20-11;/h9H,3-8,10H2,1-2H3,(H2,14,15);1H
InChIKeyQYCVBJALROXHIF-UHFFFAOYSA-N
MW333.89 g/mol
LogP1.73
Rot. Bonds4

About 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride

4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride (PubChem CID 120898361) has the molecular formula C13H24ClN5OS and a molecular weight of 333.89 g/mol. Its IUPAC name is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
PubChem CID120898361
Molecular FormulaC13H24ClN5OS
Molecular Weight333.89 g/mol
Exact Mass333.14
IUPAC Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCN(Cc2cnc(N)s2)CC1.Cl
InChIInChI=1S/C13H23N5OS.ClH/c1-3-17(4-2)13(19)18-7-5-16(6-8-18)10-11-9-15-12(14)20-11;/h9H,3-8,10H2,1-2H3,(H2,14,15);1H
InChIKeyQYCVBJALROXHIF-UHFFFAOYSA-N
XLogP1.73
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 120898176
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 120901218
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide
CID 120903889
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120897637
[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 120901470
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899612
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-2-cyclopentylethanone;hydrochloride
CID 120903273
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 120899146
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 138808676

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride (CID 120898361) is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride is CCN(CC)C(=O)N1CCN(Cc2cnc(N)s2)CC1.Cl.
What is the InChIKey of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is QYCVBJALROXHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS.ClH/c1-3-17(4-2)13(19)18-7-5-16(6-8-18)10-11-9-15-12(14)20-11;/h9H,3-8,10H2,1-2H3,(H2,14,15);1H.
What are the key properties of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride?
4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 333.89 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 120898361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).