6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one

C10H13N3OS — CID 154103518

IUPAC6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one
SMILESCCc1nc2nsc(C(C)C)c2c(=O)[nH]1
InChIInChI=1S/C10H13N3OS/c1-4-6-11-9-7(10(14)12-6)8(5(2)3)15-13-9/h5H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyBQWHCPZDOZDJOT-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.07
Rot. Bonds2

About 6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one

6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one (PubChem CID 154103518) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one
PubChem CID154103518
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one
SMILESCCc1nc2nsc(C(C)C)c2c(=O)[nH]1
InChIInChI=1S/C10H13N3OS/c1-4-6-11-9-7(10(14)12-6)8(5(2)3)15-13-9/h5H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyBQWHCPZDOZDJOT-UHFFFAOYSA-N
XLogP2.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-diethyl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one
CID 137270080
3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 137274403
2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 57164201
8-ethyl-2-(tritioamino)-1,7-dihydropurin-6-one
CID 136659280
4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane
CID 158824343
4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one
CID 143553883
2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one
CID 137009972
ethyl 2-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxylate
CID 82338161
2-ethylsulfanyl-4-propan-2-yl-7-propyl-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137286180
5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868331
5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one
CID 136692836
3,4-diethyl-5-propan-2-yl-1,2-thiazole
CID 167407500

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one (CID 154103518) is 6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one is CCc1nc2nsc(C(C)C)c2c(=O)[nH]1.
What is the InChIKey of 6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one?
The InChIKey is BQWHCPZDOZDJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-4-6-11-9-7(10(14)12-6)8(5(2)3)15-13-9/h5H,4H2,1-3H3,(H,11,12,13,14).
What are the key properties of 6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one?
6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one has a molecular weight of 223.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-propan-2-yl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 154103518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).