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

C21H23N3O2S — CID 91796101

IUPAC2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC(c2cnc3ccccc3c2)C2CC(O)C2)s1
InChIInChI=1S/C21H23N3O2S/c1-3-18-23-12(2)20(27-18)21(26)24-19(14-9-16(25)10-14)15-8-13-6-4-5-7-17(13)22-11-15/h4-8,11,14,16,19,25H,3,9-10H2,1-2H3,(H,24,26)
InChIKeyXMGTUAUZEQNEFI-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.80
Rot. Bonds5

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

2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 91796101) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID91796101
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC(c2cnc3ccccc3c2)C2CC(O)C2)s1
InChIInChI=1S/C21H23N3O2S/c1-3-18-23-12(2)20(27-18)21(26)24-19(14-9-16(25)10-14)15-8-13-6-4-5-7-17(13)22-11-15/h4-8,11,14,16,19,25H,3,9-10H2,1-2H3,(H,24,26)
InChIKeyXMGTUAUZEQNEFI-UHFFFAOYSA-N
XLogP3.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 91796101) is 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)NC(c2cnc3ccccc3c2)C2CC(O)C2)s1.
What is the InChIKey of 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XMGTUAUZEQNEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-3-18-23-12(2)20(27-18)21(26)24-19(14-9-16(25)10-14)15-8-13-6-4-5-7-17(13)22-11-15/h4-8,11,14,16,19,25H,3,9-10H2,1-2H3,(H,24,26).
What are the key properties of 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91796101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).