7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H15N3O2S — CID 126470619

IUPAC7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC=CCN(C)C(=O)c1c(CC)nc2sccn2c1=O
InChIInChI=1S/C13H15N3O2S/c1-4-6-15(3)11(17)10-9(5-2)14-13-16(12(10)18)7-8-19-13/h4,7-8H,1,5-6H2,2-3H3
InChIKeyAAPKAJLULAJDNO-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.58
Rot. Bonds4

About 7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470619) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470619
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC=CCN(C)C(=O)c1c(CC)nc2sccn2c1=O
InChIInChI=1S/C13H15N3O2S/c1-4-6-15(3)11(17)10-9(5-2)14-13-16(12(10)18)7-8-19-13/h4,7-8H,1,5-6H2,2-3H3
InChIKeyAAPKAJLULAJDNO-UHFFFAOYSA-N
XLogP1.58
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
CID 50848343
7-Methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 50848344
5-(2-(Diethylamino)-2-oxoethyl)-N,N-diethyl-7-oxo-7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 375437
7-[(4,5-Dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 99825192
7-ethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469681
N-allyl-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4325016
N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47473349
6-{[(2R*,6R*)-2-allyl-6-methyl-3,6-dihydropyridin-1(2H)-yl]carbonyl}-2,3-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 56866120
N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 78844031
7-Ethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469146
7-ethyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469196
N-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469299

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470619) is 7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is C=CCN(C)C(=O)c1c(CC)nc2sccn2c1=O.
What is the InChIKey of 7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is AAPKAJLULAJDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-4-6-15(3)11(17)10-9(5-2)14-13-16(12(10)18)7-8-19-13/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of 7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).