4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide

C18H25N3O2S — CID 16933485

IUPAC4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2c(C)nc3sccn3c2=O)CC1
InChIInChI=1S/C18H25N3O2S/c1-3-4-5-13-6-8-14(9-7-13)16(22)20-15-12(2)19-18-21(17(15)23)10-11-24-18/h10-11,13-14H,3-9H2,1-2H3,(H,20,22)
InChIKeyYMMVJHWBJHOIBP-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.00
Rot. Bonds5

About 4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide

4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide (PubChem CID 16933485) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide
PubChem CID16933485
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2c(C)nc3sccn3c2=O)CC1
InChIInChI=1S/C18H25N3O2S/c1-3-4-5-13-6-8-14(9-7-13)16(22)20-15-12(2)19-18-21(17(15)23)10-11-24-18/h10-11,13-14H,3-9H2,1-2H3,(H,20,22)
InChIKeyYMMVJHWBJHOIBP-UHFFFAOYSA-N
XLogP4.00
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide (CID 16933485) is 4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2c(C)nc3sccn3c2=O)CC1.
What is the InChIKey of 4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide?
The InChIKey is YMMVJHWBJHOIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-3-4-5-13-6-8-14(9-7-13)16(22)20-15-12(2)19-18-21(17(15)23)10-11-24-18/h10-11,13-14H,3-9H2,1-2H3,(H,20,22).
What are the key properties of 4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide?
4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 16933485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).