N-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine

C22H23N5O3S — CID 137332065

IUPACN-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine
SMILESCOc1cc2ncnc(N3CCOCC3)c2cc1OCCNc1nc2ccccc2s1
InChIInChI=1S/C22H23N5O3S/c1-28-18-13-17-15(21(25-14-24-17)27-7-10-29-11-8-27)12-19(18)30-9-6-23-22-26-16-4-2-3-5-20(16)31-22/h2-5,12-14H,6-11H2,1H3,(H,23,26)
InChIKeyTYMCCWJEDPSKIP-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine

N-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine (PubChem CID 137332065) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine
PubChem CID137332065
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC NameN-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine
SMILESCOc1cc2ncnc(N3CCOCC3)c2cc1OCCNc1nc2ccccc2s1
InChIInChI=1S/C22H23N5O3S/c1-28-18-13-17-15(21(25-14-24-17)27-7-10-29-11-8-27)12-19(18)30-9-6-23-22-26-16-4-2-3-5-20(16)31-22/h2-5,12-14H,6-11H2,1H3,(H,23,26)
InChIKeyTYMCCWJEDPSKIP-UHFFFAOYSA-N
XLogP3.58
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine (CID 137332065) is N-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine is COc1cc2ncnc(N3CCOCC3)c2cc1OCCNc1nc2ccccc2s1.
What is the InChIKey of N-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine?
The InChIKey is TYMCCWJEDPSKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-28-18-13-17-15(21(25-14-24-17)27-7-10-29-11-8-27)12-19(18)30-9-6-23-22-26-16-4-2-3-5-20(16)31-22/h2-5,12-14H,6-11H2,1H3,(H,23,26).
What are the key properties of N-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine?
N-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine has a molecular weight of 437.53 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-4-morpholin-4-ylquinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 137332065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).