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

C18H15ClN2O3S — CID 7455115

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESCc1csc2nc(COC(=O)C3(c4ccc(Cl)cc4)CC3)cc(=O)n12
InChIInChI=1S/C18H15ClN2O3S/c1-11-10-25-17-20-14(8-15(22)21(11)17)9-24-16(23)18(6-7-18)12-2-4-13(19)5-3-12/h2-5,8,10H,6-7,9H2,1H3
InChIKeyKBRBMKLKYQJHAW-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.49
Rot. Bonds4

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 7455115) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID7455115
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESCc1csc2nc(COC(=O)C3(c4ccc(Cl)cc4)CC3)cc(=O)n12
InChIInChI=1S/C18H15ClN2O3S/c1-11-10-25-17-20-14(8-15(22)21(11)17)9-24-16(23)18(6-7-18)12-2-4-13(19)5-3-12/h2-5,8,10H,6-7,9H2,1H3
InChIKeyKBRBMKLKYQJHAW-UHFFFAOYSA-N
XLogP3.49
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-chlorophenyl)acetate
CID 7750372
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 55380292
cis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7778035
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55926545
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4-dimethylbenzoate
CID 7382179
(2-ethyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 55533819
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate
CID 51111929
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzothiophene-2-carboxylate
CID 7887441
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-chloro-5-methylphenoxy)acetate
CID 7234792
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 46793286
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methoxyphenoxy)acetate
CID 7846826
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate (CID 7455115) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate is Cc1csc2nc(COC(=O)C3(c4ccc(Cl)cc4)CC3)cc(=O)n12.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is KBRBMKLKYQJHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-11-10-25-17-20-14(8-15(22)21(11)17)9-24-16(23)18(6-7-18)12-2-4-13(19)5-3-12/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 374.85 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 7455115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).