1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea

C15H26N4O2S — CID 71989956

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea
SMILESCCc1cnc(CNC(=O)NCC(C)N2CCOCC2C)s1
InChIInChI=1S/C15H26N4O2S/c1-4-13-8-16-14(22-13)9-18-15(20)17-7-11(2)19-5-6-21-10-12(19)3/h8,11-12H,4-7,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyDZIWFYWDSUGFNV-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.61
Rot. Bonds6

About 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea (PubChem CID 71989956) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea
PubChem CID71989956
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea
SMILESCCc1cnc(CNC(=O)NCC(C)N2CCOCC2C)s1
InChIInChI=1S/C15H26N4O2S/c1-4-13-8-16-14(22-13)9-18-15(20)17-7-11(2)19-5-6-21-10-12(19)3/h8,11-12H,4-7,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyDZIWFYWDSUGFNV-UHFFFAOYSA-N
XLogP1.61
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea (CID 71989956) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea is CCc1cnc(CNC(=O)NCC(C)N2CCOCC2C)s1.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea?
The InChIKey is DZIWFYWDSUGFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-4-13-8-16-14(22-13)9-18-15(20)17-7-11(2)19-5-6-21-10-12(19)3/h8,11-12H,4-7,9-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea has a molecular weight of 326.47 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea is sourced from PubChem (CID 71989956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).