1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea

C18H24N4O4S — CID 10172866

IUPAC1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)NC3CCOCC3)nc12
InChIInChI=1S/C18H24N4O4S/c1-24-14-3-2-13(22-6-10-26-11-7-22)16-15(14)20-18(27-16)21-17(23)19-12-4-8-25-9-5-12/h2-3,12H,4-11H2,1H3,(H2,19,20,21,23)
InChIKeyYHQHVYQNIWCAKL-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.44
Rot. Bonds4

About 1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea

1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea (PubChem CID 10172866) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
PubChem CID10172866
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)NC3CCOCC3)nc12
InChIInChI=1S/C18H24N4O4S/c1-24-14-3-2-13(22-6-10-26-11-7-22)16-15(14)20-18(27-16)21-17(23)19-12-4-8-25-9-5-12/h2-3,12H,4-11H2,1H3,(H2,19,20,21,23)
InChIKeyYHQHVYQNIWCAKL-UHFFFAOYSA-N
XLogP2.44
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)urea
CID 22283121
4-(18F)fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 162675230
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 22283227
(4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate
CID 11361800
1-[2-(dimethylamino)ethyl]-3-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)urea
CID 22283206
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 86584913
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxamide
CID 11618368
methyl 6-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamoylamino]hexanoate
CID 175024604
methyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate
CID 87471895
[(1S,3R)-3-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl] acetate
CID 11561101
iodo-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]methanol
CID 163815671
1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 56592932

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea?
The IUPAC name of 1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea (CID 10172866) is 1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea?
The canonical SMILES for 1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea is COc1ccc(N2CCOCC2)c2sc(NC(=O)NC3CCOCC3)nc12.
What is the InChIKey of 1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea?
The InChIKey is YHQHVYQNIWCAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-24-14-3-2-13(22-6-10-26-11-7-22)16-15(14)20-18(27-16)21-17(23)19-12-4-8-25-9-5-12/h2-3,12H,4-11H2,1H3,(H2,19,20,21,23).
What are the key properties of 1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea?
1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea has a molecular weight of 392.48 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea is sourced from PubChem (CID 10172866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).