2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide

C15H24N2O3S — CID 164632739

IUPAC2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCO[C@@H](C)c1ncc(C(=O)NCCC2(OC)CCC2)s1
InChIInChI=1S/C15H24N2O3S/c1-4-20-11(2)14-17-10-12(21-14)13(18)16-9-8-15(19-3)6-5-7-15/h10-11H,4-9H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyBDSRFBLDOIZEMH-NSHDSACASA-N
MW312.44 g/mol
LogP2.93
Rot. Bonds8

About 2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide

2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 164632739) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID164632739
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCO[C@@H](C)c1ncc(C(=O)NCCC2(OC)CCC2)s1
InChIInChI=1S/C15H24N2O3S/c1-4-20-11(2)14-17-10-12(21-14)13(18)16-9-8-15(19-3)6-5-7-15/h10-11H,4-9H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyBDSRFBLDOIZEMH-NSHDSACASA-N
XLogP2.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide (CID 164632739) is 2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide is CCO[C@@H](C)c1ncc(C(=O)NCCC2(OC)CCC2)s1.
What is the InChIKey of 2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BDSRFBLDOIZEMH-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-20-11(2)14-17-10-12(21-14)13(18)16-9-8-15(19-3)6-5-7-15/h10-11H,4-9H2,1-3H3,(H,16,18)/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide?
2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164632739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).