N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C11H13N5O5S — CID 5048892

IUPACN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC(CO)C(=O)NC1=NCCS1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H13N5O5S/c17-4-6(9(20)16-11-12-1-2-22-11)14-7(18)5-3-13-10(21)15-8(5)19/h3,6,17H,1-2,4H2,(H,14,18)(H,12,16,20)(H2,13,15,19,21)
InChIKeyOQYKAKPPHXIFFV-UHFFFAOYSA-N
MW327.32 g/mol
LogP-2.63
Rot. Bonds4

About N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 5048892) has the molecular formula C11H13N5O5S and a molecular weight of 327.32 g/mol. Its IUPAC name is N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID5048892
Molecular FormulaC11H13N5O5S
Molecular Weight327.32 g/mol
Exact Mass327.06
IUPAC NameN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC(CO)C(=O)NC1=NCCS1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H13N5O5S/c17-4-6(9(20)16-11-12-1-2-22-11)14-7(18)5-3-13-10(21)15-8(5)19/h3,6,17H,1-2,4H2,(H,14,18)(H,12,16,20)(H2,13,15,19,21)
InChIKeyOQYKAKPPHXIFFV-UHFFFAOYSA-N
XLogP-2.63
TPSA156.51 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 5-2.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 5048892) is N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NC(CO)C(=O)NC1=NCCS1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is OQYKAKPPHXIFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O5S/c17-4-6(9(20)16-11-12-1-2-22-11)14-7(18)5-3-13-10(21)15-8(5)19/h3,6,17H,1-2,4H2,(H,14,18)(H,12,16,20)(H2,13,15,19,21).
What are the key properties of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 327.32 g/mol, XLogP of -2.63, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 5048892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).