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

C15H14ClN3O2S — CID 18096639

IUPAC7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cc(Cl)c(C)cc1NCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H14ClN3O2S/c1-9-5-12(13(21-2)7-11(9)16)17-8-10-6-14(20)19-3-4-22-15(19)18-10/h3-7,17H,8H2,1-2H3
InChIKeyHYWUEXSLYGCOGS-UHFFFAOYSA-N
MW335.82 g/mol
LogP3.34
Rot. Bonds4

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

7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 18096639) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID18096639
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cc(Cl)c(C)cc1NCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H14ClN3O2S/c1-9-5-12(13(21-2)7-11(9)16)17-8-10-6-14(20)19-3-4-22-15(19)18-10/h3-7,17H,8H2,1-2H3
InChIKeyHYWUEXSLYGCOGS-UHFFFAOYSA-N
XLogP3.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47007423
7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458961
7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 78795438
7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127002284
N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66387889
7-[(4-bromo-2-fluoroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46678180
7-[(5-chloro-2-pyrazol-1-ylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47064214
4-[(4-chloro-2,5-dimethoxyanilino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103232391
N-(4-chloro-2,5-dimethoxyphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 23004529
7-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7817594
7-[[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47056444
methyl 4-(4-chloro-2-methoxy-5-methylanilino)butanoate
CID 43377816

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 18096639) is 7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1cc(Cl)c(C)cc1NCc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HYWUEXSLYGCOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-9-5-12(13(21-2)7-11(9)16)17-8-10-6-14(20)19-3-4-22-15(19)18-10/h3-7,17H,8H2,1-2H3.
What are the key properties of 7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 335.82 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 18096639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).