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

C16H30ClN5S — CID 120899430

IUPAC5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1CCC(C)N1CCN1CCN(Cc2cnc(N)s2)CC1.Cl
InChIInChI=1S/C16H29N5S.ClH/c1-13-3-4-14(2)21(13)10-9-19-5-7-20(8-6-19)12-15-11-18-16(17)22-15;/h11,13-14H,3-10,12H2,1-2H3,(H2,17,18);1H
InChIKeyBETBMKQOFSIBKO-UHFFFAOYSA-N
MW359.97 g/mol
LogP2.14
Rot. Bonds5

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

5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120899430) has the molecular formula C16H30ClN5S and a molecular weight of 359.97 g/mol. Its IUPAC name is 5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120899430
Molecular FormulaC16H30ClN5S
Molecular Weight359.97 g/mol
Exact Mass359.19
IUPAC Name5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1CCC(C)N1CCN1CCN(Cc2cnc(N)s2)CC1.Cl
InChIInChI=1S/C16H29N5S.ClH/c1-13-3-4-14(2)21(13)10-9-19-5-7-20(8-6-19)12-15-11-18-16(17)22-15;/h11,13-14H,3-10,12H2,1-2H3,(H2,17,18);1H
InChIKeyBETBMKQOFSIBKO-UHFFFAOYSA-N
XLogP2.14
TPSA48.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.97
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897925
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901379
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol
CID 120904205
5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900208
5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898786
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899926
5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898110

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120899430) is 5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is CC1CCC(C)N1CCN1CCN(Cc2cnc(N)s2)CC1.Cl.
What is the InChIKey of 5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is BETBMKQOFSIBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5S.ClH/c1-13-3-4-14(2)21(13)10-9-19-5-7-20(8-6-19)12-15-11-18-16(17)22-15;/h11,13-14H,3-10,12H2,1-2H3,(H2,17,18);1H.
What are the key properties of 5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 359.97 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120899430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).