4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole

C16H18N4S — CID 99958850

IUPAC4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1ccc2[nH]c([C@@H]3CCCCN3Cc3cscn3)nc2c1
InChIInChI=1S/C16H18N4S/c1-2-6-14-13(5-1)18-16(19-14)15-7-3-4-8-20(15)9-12-10-21-11-17-12/h1-2,5-6,10-11,15H,3-4,7-9H2,(H,18,19)/t15-/m0/s1
InChIKeyAONCXLAMQOTCHV-HNNXBMFYSA-N
MW298.41 g/mol
LogP3.75
Rot. Bonds3

About 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole

4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 99958850) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID99958850
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1ccc2[nH]c([C@@H]3CCCCN3Cc3cscn3)nc2c1
InChIInChI=1S/C16H18N4S/c1-2-6-14-13(5-1)18-16(19-14)15-7-3-4-8-20(15)9-12-10-21-11-17-12/h1-2,5-6,10-11,15H,3-4,7-9H2,(H,18,19)/t15-/m0/s1
InChIKeyAONCXLAMQOTCHV-HNNXBMFYSA-N
XLogP3.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 77097504
2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole
CID 56897456
7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 125165240
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole
CID 77079706
2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97138643
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061
[5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol
CID 74233620
(E)-3-[4-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]prop-2-enoic acid
CID 110166541
4-[[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-(3-nitrophenyl)-1,3-thiazole
CID 86806756
5-[[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124753344
2-[(2S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl]-1H-benzimidazole
CID 124757526
2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole
CID 175651550

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 99958850) is 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole is c1ccc2[nH]c([C@@H]3CCCCN3Cc3cscn3)nc2c1.
What is the InChIKey of 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is AONCXLAMQOTCHV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-2-6-14-13(5-1)18-16(19-14)15-7-3-4-8-20(15)9-12-10-21-11-17-12/h1-2,5-6,10-11,15H,3-4,7-9H2,(H,18,19)/t15-/m0/s1.
What are the key properties of 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 298.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 99958850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).