1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide

C16H15N5O2S — CID 166172003

IUPAC1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1nc2c(=O)[nH]c(-c3ccccc3)nc2s1
InChIInChI=1S/C16H15N5O2S/c17-12(22)10-7-4-8-21(10)16-18-11-14(23)19-13(20-15(11)24-16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,17,22)(H,19,20,23)
InChIKeyFHIYIJBVVZHOTA-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.50
Rot. Bonds3

About 1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide

1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 166172003) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
PubChem CID166172003
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1nc2c(=O)[nH]c(-c3ccccc3)nc2s1
InChIInChI=1S/C16H15N5O2S/c17-12(22)10-7-4-8-21(10)16-18-11-14(23)19-13(20-15(11)24-16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,17,22)(H,19,20,23)
InChIKeyFHIYIJBVVZHOTA-UHFFFAOYSA-N
XLogP1.50
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 157443972
2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 160792966
2-[(2R)-2-[(3S)-3-phenylbutanoyl]pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 159531323
(2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 137291643
1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 154829671
1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 154829551
1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide
CID 72510858
(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 34039994
1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide
CID 142766812
(2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 40810173
(2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 137291412
(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58067491

Frequently Asked Questions

What is the IUPAC name of 1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 166172003) is 1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1nc2c(=O)[nH]c(-c3ccccc3)nc2s1.
What is the InChIKey of 1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is FHIYIJBVVZHOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c17-12(22)10-7-4-8-21(10)16-18-11-14(23)19-13(20-15(11)24-16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,17,22)(H,19,20,23).
What are the key properties of 1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166172003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).