N-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide

C19H19N5O2S — CID 138587299

IUPACN-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)CN4C[C@H]5C[C@@H]4CO5)nc3c2)s1
InChIInChI=1S/C19H19N5O2S/c1-11-20-7-17(27-11)12-2-3-13-6-21-19(22-16(13)4-12)23-18(25)9-24-8-15-5-14(24)10-26-15/h2-4,6-7,14-15H,5,8-10H2,1H3,(H,21,22,23,25)/t14-,15-/m1/s1
InChIKeyWYUFXFJBSNCNPD-HUUCEWRRSA-N
MW381.46 g/mol
LogP2.47
Rot. Bonds4

About N-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide

N-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide (PubChem CID 138587299) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide.

Molecular Properties

Compound NameN-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide
PubChem CID138587299
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)CN4C[C@H]5C[C@@H]4CO5)nc3c2)s1
InChIInChI=1S/C19H19N5O2S/c1-11-20-7-17(27-11)12-2-3-13-6-21-19(22-16(13)4-12)23-18(25)9-24-8-15-5-14(24)10-26-15/h2-4,6-7,14-15H,5,8-10H2,1H3,(H,21,22,23,25)/t14-,15-/m1/s1
InChIKeyWYUFXFJBSNCNPD-HUUCEWRRSA-N
XLogP2.47
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide?
The IUPAC name of N-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide (CID 138587299) is N-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide.
What is the SMILES notation for N-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide?
The canonical SMILES for N-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide is Cc1ncc(-c2ccc3cnc(NC(=O)CN4C[C@H]5C[C@@H]4CO5)nc3c2)s1.
What is the InChIKey of N-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide?
The InChIKey is WYUFXFJBSNCNPD-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-11-20-7-17(27-11)12-2-3-13-6-21-19(22-16(13)4-12)23-18(25)9-24-8-15-5-14(24)10-26-15/h2-4,6-7,14-15H,5,8-10H2,1H3,(H,21,22,23,25)/t14-,15-/m1/s1.
What are the key properties of N-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide?
N-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide is sourced from PubChem (CID 138587299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).