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

C14H18N4O3S — CID 126469299

IUPACN-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1nc2sccn2c(=O)c1C(=O)N(C)CC(=O)N(C)C
InChIInChI=1S/C14H18N4O3S/c1-5-9-11(12(20)17(4)8-10(19)16(2)3)13(21)18-6-7-22-14(18)15-9/h6-7H,5,8H2,1-4H3
InChIKeyKVGPUQKMNQQQSU-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.48
Rot. Bonds4

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

N-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469299) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469299
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1nc2sccn2c(=O)c1C(=O)N(C)CC(=O)N(C)C
InChIInChI=1S/C14H18N4O3S/c1-5-9-11(12(20)17(4)8-10(19)16(2)3)13(21)18-6-7-22-14(18)15-9/h6-7H,5,8H2,1-4H3
InChIKeyKVGPUQKMNQQQSU-UHFFFAOYSA-N
XLogP0.48
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469299) is N-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCc1nc2sccn2c(=O)c1C(=O)N(C)CC(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KVGPUQKMNQQQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-5-9-11(12(20)17(4)8-10(19)16(2)3)13(21)18-6-7-22-14(18)15-9/h6-7H,5,8H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).