3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione

C14H19N3O2S — CID 63811885

IUPAC3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2csc(C(C)C)n2)c1=O
InChIInChI=1S/C14H19N3O2S/c1-4-6-16-7-5-12(18)17(14(16)19)8-11-9-20-13(15-11)10(2)3/h5,7,9-10H,4,6,8H2,1-3H3
InChIKeyHHSCPWXORWZPTD-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.05
Rot. Bonds5

About 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione

3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione (PubChem CID 63811885) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione
PubChem CID63811885
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2csc(C(C)C)n2)c1=O
InChIInChI=1S/C14H19N3O2S/c1-4-6-16-7-5-12(18)17(14(16)19)8-11-9-20-13(15-11)10(2)3/h5,7,9-10H,4,6,8H2,1-3H3
InChIKeyHHSCPWXORWZPTD-UHFFFAOYSA-N
XLogP2.05
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione (CID 63811885) is 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2csc(C(C)C)n2)c1=O.
What is the InChIKey of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is HHSCPWXORWZPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-6-16-7-5-12(18)17(14(16)19)8-11-9-20-13(15-11)10(2)3/h5,7,9-10H,4,6,8H2,1-3H3.
What are the key properties of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione?
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 293.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63811885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).