1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea

C16H20N4O2S — CID 60545810

IUPAC1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESO=C(NCCN1CCOCC1)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C16H20N4O2S/c21-16(18-4-6-20-7-9-22-10-8-20)19-14-3-1-2-13(12-14)15-17-5-11-23-15/h1-3,5,11-12H,4,6-10H2,(H2,18,19,21)
InChIKeyJWJIDEYHFUHTSM-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.26
Rot. Bonds5

About 1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea

1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea (PubChem CID 60545810) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
PubChem CID60545810
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESO=C(NCCN1CCOCC1)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C16H20N4O2S/c21-16(18-4-6-20-7-9-22-10-8-20)19-14-3-1-2-13(12-14)15-17-5-11-23-15/h1-3,5,11-12H,4,6-10H2,(H2,18,19,21)
InChIKeyJWJIDEYHFUHTSM-UHFFFAOYSA-N
XLogP2.26
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea
CID 8656184
1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545932
1-[3-(1-aminoethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 61339652
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62834909
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 87044600
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545843
2-amino-N-[2-oxo-2-[3-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60928490
1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea
CID 119048905
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 22932427
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea (CID 60545810) is 1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea is O=C(NCCN1CCOCC1)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is JWJIDEYHFUHTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-16(18-4-6-20-7-9-22-10-8-20)19-14-3-1-2-13(12-14)15-17-5-11-23-15/h1-3,5,11-12H,4,6-10H2,(H2,18,19,21).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 332.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 60545810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).