7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine

C18H19N3O2S — CID 22283202

IUPAC7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine
SMILESNc1nc2c(OCc3ccccc3)ccc(N3CCOCC3)c2s1
InChIInChI=1S/C18H19N3O2S/c19-18-20-16-15(23-12-13-4-2-1-3-5-13)7-6-14(17(16)24-18)21-8-10-22-11-9-21/h1-7H,8-12H2,(H2,19,20)
InChIKeyHVGQRDDNSYZQQI-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.29
Rot. Bonds4

About 7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine

7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine (PubChem CID 22283202) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine
PubChem CID22283202
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine
SMILESNc1nc2c(OCc3ccccc3)ccc(N3CCOCC3)c2s1
InChIInChI=1S/C18H19N3O2S/c19-18-20-16-15(23-12-13-4-2-1-3-5-13)7-6-14(17(16)24-18)21-8-10-22-11-9-21/h1-7H,8-12H2,(H2,19,20)
InChIKeyHVGQRDDNSYZQQI-UHFFFAOYSA-N
XLogP3.29
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde
CID 142244602
4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-amine;8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 172688901
4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine
CID 167513814
4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine
CID 68778385
4-(2-amino-4-methoxy-1,3-benzothiazol-7-yl)-1-methylpiperazin-2-one
CID 22015741
(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)urea
CID 22283121
2-[benzyl(methyl)amino]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 10217629
4-morpholin-4-yl-2-phenylmethoxybenzoic acid
CID 139820308
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
iodo-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]methanol
CID 163815671
1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine
CID 70239064
5-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid
CID 2985527

Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine (CID 22283202) is 7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine is Nc1nc2c(OCc3ccccc3)ccc(N3CCOCC3)c2s1.
What is the InChIKey of 7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine?
The InChIKey is HVGQRDDNSYZQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c19-18-20-16-15(23-12-13-4-2-1-3-5-13)7-6-14(17(16)24-18)21-8-10-22-11-9-21/h1-7H,8-12H2,(H2,19,20).
What are the key properties of 7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine?
7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine has a molecular weight of 341.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 22283202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).