N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide

C14H23N3O2S — CID 56760390

IUPACN-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)CN1CCOC(CCNC(=O)c2cncs2)C1
InChIInChI=1S/C14H23N3O2S/c1-11(2)8-17-5-6-19-12(9-17)3-4-16-14(18)13-7-15-10-20-13/h7,10-12H,3-6,8-9H2,1-2H3,(H,16,18)
InChIKeyWKTBZLWZLIROBM-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.62
Rot. Bonds6

About N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide

N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 56760390) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID56760390
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)CN1CCOC(CCNC(=O)c2cncs2)C1
InChIInChI=1S/C14H23N3O2S/c1-11(2)8-17-5-6-19-12(9-17)3-4-16-14(18)13-7-15-10-20-13/h7,10-12H,3-6,8-9H2,1-2H3,(H,16,18)
InChIKeyWKTBZLWZLIROBM-UHFFFAOYSA-N
XLogP1.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide (CID 56760390) is N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide is CC(C)CN1CCOC(CCNC(=O)c2cncs2)C1.
What is the InChIKey of N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WKTBZLWZLIROBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11(2)8-17-5-6-19-12(9-17)3-4-16-14(18)13-7-15-10-20-13/h7,10-12H,3-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56760390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).