N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C17H26ClN5S — CID 120910469

IUPACN,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCN(CC)c1ncc(CN2CCNCC2c2ccncc2)s1.Cl
InChIInChI=1S/C17H25N5S.ClH/c1-3-21(4-2)17-20-11-15(23-17)13-22-10-9-19-12-16(22)14-5-7-18-8-6-14;/h5-8,11,16,19H,3-4,9-10,12-13H2,1-2H3;1H
InChIKeyMUNDJCOVALXMKU-UHFFFAOYSA-N
MW367.95 g/mol
LogP2.95
Rot. Bonds6

About N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120910469) has the molecular formula C17H26ClN5S and a molecular weight of 367.95 g/mol. Its IUPAC name is N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120910469
Molecular FormulaC17H26ClN5S
Molecular Weight367.95 g/mol
Exact Mass367.16
IUPAC NameN,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCN(CC)c1ncc(CN2CCNCC2c2ccncc2)s1.Cl
InChIInChI=1S/C17H25N5S.ClH/c1-3-21(4-2)17-20-11-15(23-17)13-22-10-9-19-12-16(22)14-5-7-18-8-6-14;/h5-8,11,16,19H,3-4,9-10,12-13H2,1-2H3;1H
InChIKeyMUNDJCOVALXMKU-UHFFFAOYSA-N
XLogP2.95
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.95
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120909919
2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910331
1-[(5-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910009
N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride
CID 120910581
5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910056
5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910696
1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910228
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910478
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
2-ethyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120910725
2-tert-butyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120768352

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120910469) is N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is CCN(CC)c1ncc(CN2CCNCC2c2ccncc2)s1.Cl.
What is the InChIKey of N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is MUNDJCOVALXMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S.ClH/c1-3-21(4-2)17-20-11-15(23-17)13-22-10-9-19-12-16(22)14-5-7-18-8-6-14;/h5-8,11,16,19H,3-4,9-10,12-13H2,1-2H3;1H.
What are the key properties of N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 367.95 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120910469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).