5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C13H18Cl2N4S2 — CID 120897575

IUPAC5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCN(Cc3ccc(Cl)s3)CC2)s1
InChIInChI=1S/C13H17ClN4S2.ClH/c14-12-2-1-10(19-12)8-17-3-5-18(6-4-17)9-11-7-16-13(15)20-11;/h1-2,7H,3-6,8-9H2,(H2,15,16);1H
InChIKeyZHGBBRUMGWJYGI-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.18
Rot. Bonds4

About 5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120897575) has the molecular formula C13H18Cl2N4S2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120897575
Molecular FormulaC13H18Cl2N4S2
Molecular Weight365.36 g/mol
Exact Mass364.03
IUPAC Name5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCN(Cc3ccc(Cl)s3)CC2)s1
InChIInChI=1S/C13H17ClN4S2.ClH/c14-12-2-1-10(19-12)8-17-3-5-18(6-4-17)9-11-7-16-13(15)20-11;/h1-2,7H,3-6,8-9H2,(H2,15,16);1H
InChIKeyZHGBBRUMGWJYGI-UHFFFAOYSA-N
XLogP3.18
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

5-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897945
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904537
5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902380
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120904538
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902080
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902713
4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride
CID 120898009
5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120898251

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120897575) is 5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN2CCN(Cc3ccc(Cl)s3)CC2)s1.
What is the InChIKey of 5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is ZHGBBRUMGWJYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4S2.ClH/c14-12-2-1-10(19-12)8-17-3-5-18(6-4-17)9-11-7-16-13(15)20-11;/h1-2,7H,3-6,8-9H2,(H2,15,16);1H.
What are the key properties of 5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 365.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120897575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).