2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide

C17H27N3O2S — CID 91783296

IUPAC2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC(C2CCNCC2)C2CC(O)C2)s1
InChIInChI=1S/C17H27N3O2S/c1-3-14-19-10(2)16(23-14)17(22)20-15(12-8-13(21)9-12)11-4-6-18-7-5-11/h11-13,15,18,21H,3-9H2,1-2H3,(H,20,22)
InChIKeyYWHUMHIVKRMXRW-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.88
Rot. Bonds5

About 2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 91783296) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID91783296
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC(C2CCNCC2)C2CC(O)C2)s1
InChIInChI=1S/C17H27N3O2S/c1-3-14-19-10(2)16(23-14)17(22)20-15(12-8-13(21)9-12)11-4-6-18-7-5-11/h11-13,15,18,21H,3-9H2,1-2H3,(H,20,22)
InChIKeyYWHUMHIVKRMXRW-UHFFFAOYSA-N
XLogP1.88
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 91783296) is 2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)NC(C2CCNCC2)C2CC(O)C2)s1.
What is the InChIKey of 2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YWHUMHIVKRMXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-3-14-19-10(2)16(23-14)17(22)20-15(12-8-13(21)9-12)11-4-6-18-7-5-11/h11-13,15,18,21H,3-9H2,1-2H3,(H,20,22).
What are the key properties of 2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91783296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).