6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one

C20H18N6OS — CID 146408088

IUPAC6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one
SMILESCC1CN(C2CC2)N=C1c1nc2sccn2c1-c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C20H18N6OS/c1-11-9-26(13-3-4-13)24-16(11)17-18(25-6-7-28-20(25)23-17)12-2-5-15-14(8-12)19(27)22-10-21-15/h2,5-8,10-11,13H,3-4,9H2,1H3,(H,21,22,27)
InChIKeyALPZGLBILSKYEZ-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.12
Rot. Bonds3

About 6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one

6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one (PubChem CID 146408088) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is 6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one
PubChem CID146408088
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC Name6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one
SMILESCC1CN(C2CC2)N=C1c1nc2sccn2c1-c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C20H18N6OS/c1-11-9-26(13-3-4-13)24-16(11)17-18(25-6-7-28-20(25)23-17)12-2-5-15-14(8-12)19(27)22-10-21-15/h2,5-8,10-11,13H,3-4,9H2,1H3,(H,21,22,27)
InChIKeyALPZGLBILSKYEZ-UHFFFAOYSA-N
XLogP3.12
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one?
The IUPAC name of 6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one (CID 146408088) is 6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one?
The canonical SMILES for 6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one is CC1CN(C2CC2)N=C1c1nc2sccn2c1-c1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of 6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one?
The InChIKey is ALPZGLBILSKYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-11-9-26(13-3-4-13)24-16(11)17-18(25-6-7-28-20(25)23-17)12-2-5-15-14(8-12)19(27)22-10-21-15/h2,5-8,10-11,13H,3-4,9H2,1H3,(H,21,22,27).
What are the key properties of 6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one?
6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one has a molecular weight of 390.47 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2-cyclopropyl-4-methyl-3,4-dihydropyrazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 146408088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).