3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione

C18H15N3O2S2 — CID 37143760

IUPAC3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione
SMILESCc1nc(-c2ccc(CCn3c(=O)[nH]c4ccccc4c3=O)s2)cs1
InChIInChI=1S/C18H15N3O2S2/c1-11-19-15(10-24-11)16-7-6-12(25-16)8-9-21-17(22)13-4-2-3-5-14(13)20-18(21)23/h2-7,10H,8-9H2,1H3,(H,20,23)
InChIKeyLXTMZNCAAOLJIN-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.43
Rot. Bonds4

About 3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione

3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione (PubChem CID 37143760) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione
PubChem CID37143760
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione
SMILESCc1nc(-c2ccc(CCn3c(=O)[nH]c4ccccc4c3=O)s2)cs1
InChIInChI=1S/C18H15N3O2S2/c1-11-19-15(10-24-11)16-7-6-12(25-16)8-9-21-17(22)13-4-2-3-5-14(13)20-18(21)23/h2-7,10H,8-9H2,1H3,(H,20,23)
InChIKeyLXTMZNCAAOLJIN-UHFFFAOYSA-N
XLogP3.43
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione (CID 37143760) is 3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione is Cc1nc(-c2ccc(CCn3c(=O)[nH]c4ccccc4c3=O)s2)cs1.
What is the InChIKey of 3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione?
The InChIKey is LXTMZNCAAOLJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-11-19-15(10-24-11)16-7-6-12(25-16)8-9-21-17(22)13-4-2-3-5-14(13)20-18(21)23/h2-7,10H,8-9H2,1H3,(H,20,23).
What are the key properties of 3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione?
3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione has a molecular weight of 369.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 37143760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).