[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

C18H25N5OS — CID 72916643

IUPAC[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCCC(c3nccn3CC3CCC3)C2)cs1
InChIInChI=1S/C18H25N5OS/c1-19-18-21-15(12-25-18)17(24)23-8-3-6-14(11-23)16-20-7-9-22(16)10-13-4-2-5-13/h7,9,12-14H,2-6,8,10-11H2,1H3,(H,19,21)
InChIKeyLJGYIWDTMJLDST-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.20
Rot. Bonds5

About [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 72916643) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
PubChem CID72916643
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCCC(c3nccn3CC3CCC3)C2)cs1
InChIInChI=1S/C18H25N5OS/c1-19-18-21-15(12-25-18)17(24)23-8-3-6-14(11-23)16-20-7-9-22(16)10-13-4-2-5-13/h7,9,12-14H,2-6,8,10-11H2,1H3,(H,19,21)
InChIKeyLJGYIWDTMJLDST-UHFFFAOYSA-N
XLogP3.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (CID 72916643) is [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is CNc1nc(C(=O)N2CCCC(c3nccn3CC3CCC3)C2)cs1.
What is the InChIKey of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is LJGYIWDTMJLDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-19-18-21-15(12-25-18)17(24)23-8-3-6-14(11-23)16-20-7-9-22(16)10-13-4-2-5-13/h7,9,12-14H,2-6,8,10-11H2,1H3,(H,19,21).
What are the key properties of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 359.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 72916643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).