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

C16H20ClN5S — CID 120897963

IUPAC5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(c3nc4ccccc4[nH]3)CC2)s1
InChIInChI=1S/C16H19N5S.ClH/c17-16-18-9-12(22-16)10-21-7-5-11(6-8-21)15-19-13-3-1-2-4-14(13)20-15;/h1-4,9,11H,5-8,10H2,(H2,17,18)(H,19,20);1H
InChIKeyBZKLUAISCFVFJH-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.40
Rot. Bonds3

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

5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120897963) has the molecular formula C16H20ClN5S and a molecular weight of 349.89 g/mol. Its IUPAC name is 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120897963
Molecular FormulaC16H20ClN5S
Molecular Weight349.89 g/mol
Exact Mass349.11
IUPAC Name5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(c3nc4ccccc4[nH]3)CC2)s1
InChIInChI=1S/C16H19N5S.ClH/c17-16-18-9-12(22-16)10-21-7-5-11(6-8-21)15-19-13-3-1-2-4-14(13)20-15;/h1-4,9,11H,5-8,10H2,(H2,17,18)(H,19,20);1H
InChIKeyBZKLUAISCFVFJH-UHFFFAOYSA-N
XLogP3.40
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731939
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 134127852
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
ethyl 5-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1H-1,2,4-triazole-3-carboxylate
CID 120905540
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one
CID 131900207
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120897963) is 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN2CCC(c3nc4ccccc4[nH]3)CC2)s1.
What is the InChIKey of 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is BZKLUAISCFVFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S.ClH/c17-16-18-9-12(22-16)10-21-7-5-11(6-8-21)15-19-13-3-1-2-4-14(13)20-15;/h1-4,9,11H,5-8,10H2,(H2,17,18)(H,19,20);1H.
What are the key properties of 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 349.89 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120897963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).