1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea

C15H20N4O2S — CID 51080589

IUPAC1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea
SMILESCC(CN1CCOCC1)NC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C15H20N4O2S/c1-11(10-19-6-8-21-9-7-19)16-14(20)18-15-17-12-4-2-3-5-13(12)22-15/h2-5,11H,6-10H2,1H3,(H2,16,17,18,20)
InChIKeyPQRAQOYWWYXXIC-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.14
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea

1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea (PubChem CID 51080589) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea
PubChem CID51080589
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea
SMILESCC(CN1CCOCC1)NC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C15H20N4O2S/c1-11(10-19-6-8-21-9-7-19)16-14(20)18-15-17-12-4-2-3-5-13(12)22-15/h2-5,11H,6-10H2,1H3,(H2,16,17,18,20)
InChIKeyPQRAQOYWWYXXIC-UHFFFAOYSA-N
XLogP2.14
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 94154168
3-(1,3-benzothiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 112827377
5-(1,3-benzothiazol-2-ylcarbamoylamino)hexanoic acid
CID 82847204
1-(1,3-benzothiazol-2-yl)-3-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97224822
N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 54937957
1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea
CID 17456971
1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 94102902
1-(1-morpholin-4-ylethyl)-3-(6-sulfanyl-1,3-benzothiazol-2-yl)urea
CID 87523128
N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947
5-(1,3-benzothiazol-2-ylamino)-3-methyl-5-oxopentanoic acid
CID 55156366
N-[1-(1,3-benzothiazol-2-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 75605443
1-(1,3-benzothiazol-2-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 97158663

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea (CID 51080589) is 1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea is CC(CN1CCOCC1)NC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea?
The InChIKey is PQRAQOYWWYXXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11(10-19-6-8-21-9-7-19)16-14(20)18-15-17-12-4-2-3-5-13(12)22-15/h2-5,11H,6-10H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea?
1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea has a molecular weight of 320.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea is sourced from PubChem (CID 51080589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).