7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H12ClN3OS — CID 20939084

IUPAC7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN(Cc1cc(=O)n2ccsc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3OS/c1-17(12-4-2-10(15)3-5-12)9-11-8-13(19)18-6-7-20-14(18)16-11/h2-8H,9H2,1H3
InChIKeyDDIRJQRPYVZCJG-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.05
Rot. Bonds3

About 7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20939084) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID20939084
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN(Cc1cc(=O)n2ccsc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3OS/c1-17(12-4-2-10(15)3-5-12)9-11-8-13(19)18-6-7-20-14(18)16-11/h2-8H,9H2,1H3
InChIKeyDDIRJQRPYVZCJG-UHFFFAOYSA-N
XLogP3.05
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 20939084) is 7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CN(Cc1cc(=O)n2ccsc2n1)c1ccc(Cl)cc1.
What is the InChIKey of 7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DDIRJQRPYVZCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-17(12-4-2-10(15)3-5-12)9-11-8-13(19)18-6-7-20-14(18)16-11/h2-8H,9H2,1H3.
What are the key properties of 7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 305.79 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chloro-N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20939084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).