3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

C18H18N4O2S — CID 1291195

IUPAC3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C18H18N4O2S/c23-16(21-18-20-14-7-3-4-8-15(14)25-18)9-10-22-11-19-13-6-2-1-5-12(13)17(22)24/h1-2,5-6,11H,3-4,7-10H2,(H,20,21,23)
InChIKeyWTVKWGXFVNQBSQ-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.76
Rot. Bonds4

About 3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 1291195) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
PubChem CID1291195
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C18H18N4O2S/c23-16(21-18-20-14-7-3-4-8-15(14)25-18)9-10-22-11-19-13-6-2-1-5-12(13)17(22)24/h1-2,5-6,11H,3-4,7-10H2,(H,20,21,23)
InChIKeyWTVKWGXFVNQBSQ-UHFFFAOYSA-N
XLogP2.76
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (CID 1291195) is 3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is WTVKWGXFVNQBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-16(21-18-20-14-7-3-4-8-15(14)25-18)9-10-22-11-19-13-6-2-1-5-12(13)17(22)24/h1-2,5-6,11H,3-4,7-10H2,(H,20,21,23).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 354.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 1291195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).