6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide

C20H15N7OS — CID 146405027

IUPAC6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide
SMILESNC(=O)c1ncnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4sccn34)cc12
InChIInChI=1S/C20H15N7OS/c21-19(28)16-13-9-11(1-4-14(13)22-10-23-16)18-17(24-20-26(18)7-8-29-20)15-5-6-27(25-15)12-2-3-12/h1,4-10,12H,2-3H2,(H2,21,28)
InChIKeyFPBGZIIRQGZHTJ-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.30
Rot. Bonds4

About 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide

6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide (PubChem CID 146405027) has the molecular formula C20H15N7OS and a molecular weight of 401.46 g/mol. Its IUPAC name is 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide
PubChem CID146405027
Molecular FormulaC20H15N7OS
Molecular Weight401.46 g/mol
Exact Mass401.11
IUPAC Name6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide
SMILESNC(=O)c1ncnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4sccn34)cc12
InChIInChI=1S/C20H15N7OS/c21-19(28)16-13-9-11(1-4-14(13)22-10-23-16)18-17(24-20-26(18)7-8-29-20)15-5-6-27(25-15)12-2-3-12/h1,4-10,12H,2-3H2,(H2,21,28)
InChIKeyFPBGZIIRQGZHTJ-UHFFFAOYSA-N
XLogP3.30
TPSA103.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide?
The IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide (CID 146405027) is 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide.
What is the SMILES notation for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide?
The canonical SMILES for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide is NC(=O)c1ncnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4sccn34)cc12.
What is the InChIKey of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide?
The InChIKey is FPBGZIIRQGZHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7OS/c21-19(28)16-13-9-11(1-4-14(13)22-10-23-16)18-17(24-20-26(18)7-8-29-20)15-5-6-27(25-15)12-2-3-12/h1,4-10,12H,2-3H2,(H2,21,28).
What are the key properties of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide?
6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazoline-4-carboxamide is sourced from PubChem (CID 146405027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).