4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

C19H21N3O2S — CID 16933569

IUPAC4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H21N3O2S/c1-11-10-25-18-20-12(2)15(17(24)22(11)18)21-16(23)13-6-8-14(9-7-13)19(3,4)5/h6-10H,1-5H3,(H,21,23)
InChIKeyBPMALZBKZTZWGY-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.92
Rot. Bonds2

About 4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 16933569) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID16933569
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H21N3O2S/c1-11-10-25-18-20-12(2)15(17(24)22(11)18)21-16(23)13-6-8-14(9-7-13)19(3,4)5/h6-10H,1-5H3,(H,21,23)
InChIKeyBPMALZBKZTZWGY-UHFFFAOYSA-N
XLogP3.92
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 53019448
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
CID 16933517
methyl 3-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-3-oxopropanoate
CID 53019399
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide
CID 53019406
4-tert-butyl-N-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]benzamide
CID 46336445
4-tert-butyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40691828
4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933440
N-(2,6-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-phenylbenzamide
CID 18566181
N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide
CID 53019447
4-tert-butyl-N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 71538364
4-[(2Z)-2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid
CID 9012968
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 16933569) is 4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is Cc1nc2scc(C)n2c(=O)c1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is BPMALZBKZTZWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-11-10-25-18-20-12(2)15(17(24)22(11)18)21-16(23)13-6-8-14(9-7-13)19(3,4)5/h6-10H,1-5H3,(H,21,23).
What are the key properties of 4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 355.46 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 16933569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).