N-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C19H29N3O2S — CID 4189746

IUPACN-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCCCCCCCCC1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C19H29N3O2S/c23-17(16-14-20-19-22(18(16)24)12-13-25-19)21-15-10-8-6-4-2-1-3-5-7-9-11-15/h14-15H,1-13H2,(H,21,23)
InChIKeyYXBHYSFAFZTGOX-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.75
Rot. Bonds2

About N-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4189746) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4189746
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCCCCCCCCC1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C19H29N3O2S/c23-17(16-14-20-19-22(18(16)24)12-13-25-19)21-15-10-8-6-4-2-1-3-5-7-9-11-15/h14-15H,1-13H2,(H,21,23)
InChIKeyYXBHYSFAFZTGOX-UHFFFAOYSA-N
XLogP3.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4189746) is N-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC1CCCCCCCCCCC1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YXBHYSFAFZTGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c23-17(16-14-20-19-22(18(16)24)12-13-25-19)21-15-10-8-6-4-2-1-3-5-7-9-11-15/h14-15H,1-13H2,(H,21,23).
What are the key properties of N-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4189746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).