(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate

C17H13ClN2O3S — CID 7455079

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H13ClN2O3S/c18-12-3-1-11(2-4-12)17(5-6-17)15(22)23-10-13-9-14(21)20-7-8-24-16(20)19-13/h1-4,7-9H,5-6,10H2
InChIKeyPISHJDKOAVULPN-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.18
Rot. Bonds4

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 7455079) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID7455079
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H13ClN2O3S/c18-12-3-1-11(2-4-12)17(5-6-17)15(22)23-10-13-9-14(21)20-7-8-24-16(20)19-13/h1-4,7-9H,5-6,10H2
InChIKeyPISHJDKOAVULPN-UHFFFAOYSA-N
XLogP3.18
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate (CID 7455079) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate is O=C(OCc1cc(=O)n2ccsc2n1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is PISHJDKOAVULPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c18-12-3-1-11(2-4-12)17(5-6-17)15(22)23-10-13-9-14(21)20-7-8-24-16(20)19-13/h1-4,7-9H,5-6,10H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 360.82 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 7455079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).