2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide

C19H29N3O2S — CID 16868825

IUPAC2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CC1CSc2nc(C(C)(C)C)cc(=O)n21
InChIInChI=1S/C19H29N3O2S/c1-12-7-5-6-8-14(12)20-16(23)9-13-11-25-18-21-15(19(2,3)4)10-17(24)22(13)18/h10,12-14H,5-9,11H2,1-4H3,(H,20,23)
InChIKeyMPKYMGJMNUKQLC-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.27
Rot. Bonds3

About 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide

2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide (PubChem CID 16868825) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide
PubChem CID16868825
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CC1CSc2nc(C(C)(C)C)cc(=O)n21
InChIInChI=1S/C19H29N3O2S/c1-12-7-5-6-8-14(12)20-16(23)9-13-11-25-18-21-15(19(2,3)4)10-17(24)22(13)18/h10,12-14H,5-9,11H2,1-4H3,(H,20,23)
InChIKeyMPKYMGJMNUKQLC-UHFFFAOYSA-N
XLogP3.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide (CID 16868825) is 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CC1CSc2nc(C(C)(C)C)cc(=O)n21.
What is the InChIKey of 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide?
The InChIKey is MPKYMGJMNUKQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-12-7-5-6-8-14(12)20-16(23)9-13-11-25-18-21-15(19(2,3)4)10-17(24)22(13)18/h10,12-14H,5-9,11H2,1-4H3,(H,20,23).
What are the key properties of 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide?
2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide has a molecular weight of 363.53 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 16868825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).