N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine

C21H14ClN5OS — CID 177371830

IUPACN-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
SMILESCOc1cccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cc2Cl)n1
InChIInChI=1S/C21H14ClN5OS/c1-28-20-4-2-3-16(27-20)13-8-14-17(9-15(13)22)23-10-24-21(14)26-12-5-6-19-18(7-12)25-11-29-19/h2-11H,1H3,(H,23,24,26)
InChIKeyCAZYNLYVMYUQKO-UHFFFAOYSA-N
MW419.90 g/mol
LogP5.71
Rot. Bonds4

About N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine

N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine (PubChem CID 177371830) has the molecular formula C21H14ClN5OS and a molecular weight of 419.90 g/mol. Its IUPAC name is N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
PubChem CID177371830
Molecular FormulaC21H14ClN5OS
Molecular Weight419.90 g/mol
Exact Mass419.06
IUPAC NameN-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
SMILESCOc1cccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cc2Cl)n1
InChIInChI=1S/C21H14ClN5OS/c1-28-20-4-2-3-16(27-20)13-8-14-17(9-15(13)22)23-10-24-21(14)26-12-5-6-19-18(7-12)25-11-29-19/h2-11H,1H3,(H,23,24,26)
InChIKeyCAZYNLYVMYUQKO-UHFFFAOYSA-N
XLogP5.71
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.90
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine with MolForge

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Related Compounds

ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine
CID 144534778
N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine
CID 146437991
N-[6-bis(prop-2-enyl)phosphoryl-7-methoxyquinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 146438260
4-(1,3-benzothiazol-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-methoxyquinazoline-6-sulfonamide
CID 90282739
N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine
CID 171089475
4-N-(1,3-benzothiazol-6-yl)-7-methoxyquinazoline-4,6-diamine
CID 171088906
N-[6-(4-methyl-1,3-thiazol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 177371837
N-[6-tert-butylsulfonyl-7-(2-chloroethoxy)quinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 89410811
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
2-(2,5-dichlorophenyl)-6-methoxypyridine
CID 118807970
2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinazolin-7-yl]oxyethyl hydrogen sulfate
CID 155558771
N-(1,3-benzothiazol-5-yl)-6-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 177378488

Frequently Asked Questions

What is the IUPAC name of N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The IUPAC name of N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine (CID 177371830) is N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The canonical SMILES for N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine is COc1cccc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3cc2Cl)n1.
What is the InChIKey of N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The InChIKey is CAZYNLYVMYUQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN5OS/c1-28-20-4-2-3-16(27-20)13-8-14-17(9-15(13)22)23-10-24-21(14)26-12-5-6-19-18(7-12)25-11-29-19/h2-11H,1H3,(H,23,24,26).
What are the key properties of N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine has a molecular weight of 419.90 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine is sourced from PubChem (CID 177371830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).