N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C12H16N4O2S — CID 4193341

IUPACN-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCN(C)C)c(=O)n12
InChIInChI=1S/C12H16N4O2S/c1-8-7-19-12-14-6-9(11(18)16(8)12)10(17)13-4-5-15(2)3/h6-7H,4-5H2,1-3H3,(H,13,17)
InChIKeyCLQULGPVHRQNII-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.36
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4193341) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4193341
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCN(C)C)c(=O)n12
InChIInChI=1S/C12H16N4O2S/c1-8-7-19-12-14-6-9(11(18)16(8)12)10(17)13-4-5-15(2)3/h6-7H,4-5H2,1-3H3,(H,13,17)
InChIKeyCLQULGPVHRQNII-UHFFFAOYSA-N
XLogP0.36
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4193341) is N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NCCN(C)C)c(=O)n12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CLQULGPVHRQNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8-7-19-12-14-6-9(11(18)16(8)12)10(17)13-4-5-15(2)3/h6-7H,4-5H2,1-3H3,(H,13,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4193341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).