2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole

C16H24N4S — CID 124956944

IUPAC2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole
SMILESCCCCc1ncc(CN2CCC[C@H](c3nccs3)C2)[nH]1
InChIInChI=1S/C16H24N4S/c1-2-3-6-15-18-10-14(19-15)12-20-8-4-5-13(11-20)16-17-7-9-21-16/h7,9-10,13H,2-6,8,11-12H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyFVDURGWMSZKENI-ZDUSSCGKSA-N
MW304.46 g/mol
LogP3.59
Rot. Bonds6

About 2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole

2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole (PubChem CID 124956944) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole
PubChem CID124956944
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole
SMILESCCCCc1ncc(CN2CCC[C@H](c3nccs3)C2)[nH]1
InChIInChI=1S/C16H24N4S/c1-2-3-6-15-18-10-14(19-15)12-20-8-4-5-13(11-20)16-17-7-9-21-16/h7,9-10,13H,2-6,8,11-12H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyFVDURGWMSZKENI-ZDUSSCGKSA-N
XLogP3.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole (CID 124956944) is 2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole is CCCCc1ncc(CN2CCC[C@H](c3nccs3)C2)[nH]1.
What is the InChIKey of 2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole?
The InChIKey is FVDURGWMSZKENI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4S/c1-2-3-6-15-18-10-14(19-15)12-20-8-4-5-13(11-20)16-17-7-9-21-16/h7,9-10,13H,2-6,8,11-12H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole?
2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole has a molecular weight of 304.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 124956944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).