(5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H15N5O2S — CID 51388385

IUPAC(5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCn1cc([C@@H]2C(C(N)=O)=C(C)N=C3SCC(=O)N32)cn1
InChIInChI=1S/C13H15N5O2S/c1-3-17-5-8(4-15-17)11-10(12(14)20)7(2)16-13-18(11)9(19)6-21-13/h4-5,11H,3,6H2,1-2H3,(H2,14,20)/t11-/m1/s1
InChIKeyWOSKQNIAMNDTLS-LLVKDONJSA-N
MW305.36 g/mol
LogP0.65
Rot. Bonds3

About (5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51388385) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is (5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51388385
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name(5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCn1cc([C@@H]2C(C(N)=O)=C(C)N=C3SCC(=O)N32)cn1
InChIInChI=1S/C13H15N5O2S/c1-3-17-5-8(4-15-17)11-10(12(14)20)7(2)16-13-18(11)9(19)6-21-13/h4-5,11H,3,6H2,1-2H3,(H2,14,20)/t11-/m1/s1
InChIKeyWOSKQNIAMNDTLS-LLVKDONJSA-N
XLogP0.65
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of (5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51388385) is (5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for (5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCn1cc([C@@H]2C(C(N)=O)=C(C)N=C3SCC(=O)N32)cn1.
What is the InChIKey of (5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is WOSKQNIAMNDTLS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-3-17-5-8(4-15-17)11-10(12(14)20)7(2)16-13-18(11)9(19)6-21-13/h4-5,11H,3,6H2,1-2H3,(H2,14,20)/t11-/m1/s1.
What are the key properties of (5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
(5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-ethylpyrazol-4-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51388385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).