6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine

C17H14N4OS — CID 44968263

IUPAC6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine
SMILESCc1nc(CNc2ncnc3ccc(-c4ccoc4)cc23)cs1
InChIInChI=1S/C17H14N4OS/c1-11-21-14(9-23-11)7-18-17-15-6-12(13-4-5-22-8-13)2-3-16(15)19-10-20-17/h2-6,8-10H,7H2,1H3,(H,18,19,20)
InChIKeyYTJRPUCGGWECAX-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.27
Rot. Bonds4

About 6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine

6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine (PubChem CID 44968263) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine
PubChem CID44968263
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine
SMILESCc1nc(CNc2ncnc3ccc(-c4ccoc4)cc23)cs1
InChIInChI=1S/C17H14N4OS/c1-11-21-14(9-23-11)7-18-17-15-6-12(13-4-5-22-8-13)2-3-16(15)19-10-20-17/h2-6,8-10H,7H2,1H3,(H,18,19,20)
InChIKeyYTJRPUCGGWECAX-UHFFFAOYSA-N
XLogP4.27
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine (CID 44968263) is 6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine is Cc1nc(CNc2ncnc3ccc(-c4ccoc4)cc23)cs1.
What is the InChIKey of 6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine?
The InChIKey is YTJRPUCGGWECAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-11-21-14(9-23-11)7-18-17-15-6-12(13-4-5-22-8-13)2-3-16(15)19-10-20-17/h2-6,8-10H,7H2,1H3,(H,18,19,20).
What are the key properties of 6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine?
6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine has a molecular weight of 322.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 44968263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).