N-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C12H16N4O3S — CID 47118943

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H16N4O3S/c1-3-13-9(17)7(2)15-10(18)8-6-14-12-16(11(8)19)4-5-20-12/h6-7H,3-5H2,1-2H3,(H,13,17)(H,15,18)
InChIKeyMIJXTJYSYMJMRV-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.40
Rot. Bonds4

About N-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 47118943) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID47118943
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H16N4O3S/c1-3-13-9(17)7(2)15-10(18)8-6-14-12-16(11(8)19)4-5-20-12/h6-7H,3-5H2,1-2H3,(H,13,17)(H,15,18)
InChIKeyMIJXTJYSYMJMRV-UHFFFAOYSA-N
XLogP-0.40
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 47118943) is N-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCNC(=O)C(C)NC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is MIJXTJYSYMJMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-3-13-9(17)7(2)15-10(18)8-6-14-12-16(11(8)19)4-5-20-12/h6-7H,3-5H2,1-2H3,(H,13,17)(H,15,18).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 296.35 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 47118943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).