N-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H12ClN3O2S — CID 3443362

IUPACN-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H12ClN3O2S/c15-11-4-2-1-3-9(11)7-16-12(19)10-8-17-14-18(13(10)20)5-6-21-14/h1-4,8H,5-7H2,(H,16,19)
InChIKeyXJSCOBNKOHMSSL-UHFFFAOYSA-N
MW321.79 g/mol
LogP1.93
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3443362) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3443362
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC NameN-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H12ClN3O2S/c15-11-4-2-1-3-9(11)7-16-12(19)10-8-17-14-18(13(10)20)5-6-21-14/h1-4,8H,5-7H2,(H,16,19)
InChIKeyXJSCOBNKOHMSSL-UHFFFAOYSA-N
XLogP1.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3443362) is N-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCc1ccccc1Cl)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XJSCOBNKOHMSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-11-4-2-1-3-9(11)7-16-12(19)10-8-17-14-18(13(10)20)5-6-21-14/h1-4,8H,5-7H2,(H,16,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 321.79 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3443362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).