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

C15H19N3O3S — CID 95223756

IUPACN-[2-[(2R)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCC[C@@H]1CN(Cc2ccco2)CCO1)c1cncs1
InChIInChI=1S/C15H19N3O3S/c19-15(14-8-16-11-22-14)17-4-3-13-10-18(5-7-21-13)9-12-2-1-6-20-12/h1-2,6,8,11,13H,3-5,7,9-10H2,(H,17,19)/t13-/m1/s1
InChIKeyRFIWXSDZJKLMGN-CYBMUJFWSA-N
MW321.40 g/mol
LogP1.76
Rot. Bonds6

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

N-[2-[(2R)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 95223756) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[2-[(2R)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID95223756
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[2-[(2R)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCC[C@@H]1CN(Cc2ccco2)CCO1)c1cncs1
InChIInChI=1S/C15H19N3O3S/c19-15(14-8-16-11-22-14)17-4-3-13-10-18(5-7-21-13)9-12-2-1-6-20-12/h1-2,6,8,11,13H,3-5,7,9-10H2,(H,17,19)/t13-/m1/s1
InChIKeyRFIWXSDZJKLMGN-CYBMUJFWSA-N
XLogP1.76
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[(2R)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide (CID 95223756) is N-[2-[(2R)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[(2R)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[(2R)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide is O=C(NCC[C@@H]1CN(Cc2ccco2)CCO1)c1cncs1.
What is the InChIKey of N-[2-[(2R)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RFIWXSDZJKLMGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-15(14-8-16-11-22-14)17-4-3-13-10-18(5-7-21-13)9-12-2-1-6-20-12/h1-2,6,8,11,13H,3-5,7,9-10H2,(H,17,19)/t13-/m1/s1.
What are the key properties of N-[2-[(2R)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
N-[2-[(2R)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95223756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).