3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C19H21N3O3S — CID 126471203

IUPAC3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc3scc(C(C)(C)C)n3c2=O)cc1
InChIInChI=1S/C19H21N3O3S/c1-19(2,3)15-11-26-18-21-10-14(17(24)22(15)18)16(23)20-9-12-5-7-13(25-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,20,23)
InChIKeyYUWABWKTZVWNQR-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.99
Rot. Bonds4

About 3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126471203) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126471203
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc3scc(C(C)(C)C)n3c2=O)cc1
InChIInChI=1S/C19H21N3O3S/c1-19(2,3)15-11-26-18-21-10-14(17(24)22(15)18)16(23)20-9-12-5-7-13(25-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,20,23)
InChIKeyYUWABWKTZVWNQR-UHFFFAOYSA-N
XLogP2.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide 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-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470400
3-tert-butyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 71708072
N-(4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248607
N-[(4-methoxyphenyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81239365
N-[(2,5-dimethoxyphenyl)methyl]-4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 22575235
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 6624925
N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360383
N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959741
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
N-[(4-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080240
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 86928811

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126471203) is 3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccc(CNC(=O)c2cnc3scc(C(C)(C)C)n3c2=O)cc1.
What is the InChIKey of 3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YUWABWKTZVWNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-19(2,3)15-11-26-18-21-10-14(17(24)22(15)18)16(23)20-9-12-5-7-13(25-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,20,23).
What are the key properties of 3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126471203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).