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

C19H27N3O2S — CID 16933592

IUPAC4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2c(C)nc3scc(C)n3c2=O)CC1
InChIInChI=1S/C19H27N3O2S/c1-4-5-6-14-7-9-15(10-8-14)17(23)21-16-13(3)20-19-22(18(16)24)12(2)11-25-19/h11,14-15H,4-10H2,1-3H3,(H,21,23)
InChIKeyMALZJBKIUUBDCM-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.31
Rot. Bonds5

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

4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide (PubChem CID 16933592) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide
PubChem CID16933592
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2c(C)nc3scc(C)n3c2=O)CC1
InChIInChI=1S/C19H27N3O2S/c1-4-5-6-14-7-9-15(10-8-14)17(23)21-16-13(3)20-19-22(18(16)24)12(2)11-25-19/h11,14-15H,4-10H2,1-3H3,(H,21,23)
InChIKeyMALZJBKIUUBDCM-UHFFFAOYSA-N
XLogP4.31
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide (CID 16933592) is 4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2c(C)nc3scc(C)n3c2=O)CC1.
What is the InChIKey of 4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide?
The InChIKey is MALZJBKIUUBDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-4-5-6-14-7-9-15(10-8-14)17(23)21-16-13(3)20-19-22(18(16)24)12(2)11-25-19/h11,14-15H,4-10H2,1-3H3,(H,21,23).
What are the key properties of 4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide?
4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 16933592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).