4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine

C23H18ClN5OS — CID 123172425

IUPAC4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(NC3N=C(c4cccc(Cl)c4)CS3)c2c1
InChIInChI=1S/C23H18ClN5OS/c1-30-17-7-8-19-18(11-17)22(28-21(26-19)15-5-3-9-25-12-15)29-23-27-20(13-31-23)14-4-2-6-16(24)10-14/h2-12,23H,13H2,1H3,(H,26,28,29)
InChIKeyHGMSLYMJBOCPQK-UHFFFAOYSA-N
MW447.95 g/mol
LogP5.29
Rot. Bonds5

About 4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine

4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine (PubChem CID 123172425) has the molecular formula C23H18ClN5OS and a molecular weight of 447.95 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine
PubChem CID123172425
Molecular FormulaC23H18ClN5OS
Molecular Weight447.95 g/mol
Exact Mass447.09
IUPAC Name4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(NC3N=C(c4cccc(Cl)c4)CS3)c2c1
InChIInChI=1S/C23H18ClN5OS/c1-30-17-7-8-19-18(11-17)22(28-21(26-19)15-5-3-9-25-12-15)29-23-27-20(13-31-23)14-4-2-6-16(24)10-14/h2-12,23H,13H2,1H3,(H,26,28,29)
InChIKeyHGMSLYMJBOCPQK-UHFFFAOYSA-N
XLogP5.29
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.95
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine (CID 123172425) is 4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine is COc1ccc2nc(-c3cccnc3)nc(NC3N=C(c4cccc(Cl)c4)CS3)c2c1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HGMSLYMJBOCPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5OS/c1-30-17-7-8-19-18(11-17)22(28-21(26-19)15-5-3-9-25-12-15)29-23-27-20(13-31-23)14-4-2-6-16(24)10-14/h2-12,23H,13H2,1H3,(H,26,28,29).
What are the key properties of 4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine?
4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 447.95 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-2,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 123172425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).