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

C14H22ClN5S — CID 120900208

IUPAC5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Cn1ccnc1CC1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C14H21N5S.ClH/c1-18-7-4-16-13(18)8-11-2-5-19(6-3-11)10-12-9-17-14(15)20-12;/h4,7,9,11H,2-3,5-6,8,10H2,1H3,(H2,15,17);1H
InChIKeyUQISULCZQCYOPT-UHFFFAOYSA-N
MW327.88 g/mol
LogP2.34
Rot. Bonds4

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

5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120900208) has the molecular formula C14H22ClN5S and a molecular weight of 327.88 g/mol. Its IUPAC name is 5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120900208
Molecular FormulaC14H22ClN5S
Molecular Weight327.88 g/mol
Exact Mass327.13
IUPAC Name5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Cn1ccnc1CC1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C14H21N5S.ClH/c1-18-7-4-16-13(18)8-11-2-5-19(6-3-11)10-12-9-17-14(15)20-12;/h4,7,9,11H,2-3,5-6,8,10H2,1H3,(H2,15,17);1H
InChIKeyUQISULCZQCYOPT-UHFFFAOYSA-N
XLogP2.34
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 120900630
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772441
5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899430
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898786
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 120899572
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898110
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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120900208) is 5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Cn1ccnc1CC1CCN(Cc2cnc(N)s2)CC1.
What is the InChIKey of 5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is UQISULCZQCYOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S.ClH/c1-18-7-4-16-13(18)8-11-2-5-19(6-3-11)10-12-9-17-14(15)20-12;/h4,7,9,11H,2-3,5-6,8,10H2,1H3,(H2,15,17);1H.
What are the key properties of 5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 327.88 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120900208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).