N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C12H16N4O3S — CID 135853380

IUPACN-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NCCN(C)C)c(=O)n12
InChIInChI=1S/C12H16N4O3S/c1-7-6-20-12-14-10(18)8(11(19)16(7)12)9(17)13-4-5-15(2)3/h6,18H,4-5H2,1-3H3,(H,13,17)
InChIKeyMZBALMQTYJQZOQ-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.06
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853380) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853380
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NCCN(C)C)c(=O)n12
InChIInChI=1S/C12H16N4O3S/c1-7-6-20-12-14-10(18)8(11(19)16(7)12)9(17)13-4-5-15(2)3/h6,18H,4-5H2,1-3H3,(H,13,17)
InChIKeyMZBALMQTYJQZOQ-UHFFFAOYSA-N
XLogP0.06
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853380) is N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2nc(O)c(C(=O)NCCN(C)C)c(=O)n12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is MZBALMQTYJQZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-7-6-20-12-14-10(18)8(11(19)16(7)12)9(17)13-4-5-15(2)3/h6,18H,4-5H2,1-3H3,(H,13,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).