N-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H26N4O2S — CID 51079803

IUPACN-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cnc2n(c1=O)CCS2)C(C)C
InChIInChI=1S/C16H26N4O2S/c1-5-19(6-2)13(11(3)4)10-17-14(21)12-9-18-16-20(15(12)22)7-8-23-16/h9,11,13H,5-8,10H2,1-4H3,(H,17,21)
InChIKeySIDSONBOUMBGFY-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.45
Rot. Bonds7

About N-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51079803) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51079803
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cnc2n(c1=O)CCS2)C(C)C
InChIInChI=1S/C16H26N4O2S/c1-5-19(6-2)13(11(3)4)10-17-14(21)12-9-18-16-20(15(12)22)7-8-23-16/h9,11,13H,5-8,10H2,1-4H3,(H,17,21)
InChIKeySIDSONBOUMBGFY-UHFFFAOYSA-N
XLogP1.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51079803) is N-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CC)C(CNC(=O)c1cnc2n(c1=O)CCS2)C(C)C.
What is the InChIKey of N-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SIDSONBOUMBGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-5-19(6-2)13(11(3)4)10-17-14(21)12-9-18-16-20(15(12)22)7-8-23-16/h9,11,13H,5-8,10H2,1-4H3,(H,17,21).
What are the key properties of N-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-methylbutyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51079803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).