propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate

C20H17FN6O3S — CID 86295754

IUPACpropan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
SMILESCC(C)OC(=O)Nc1cnc2nc(-c3cc(NC(=O)c4cncs4)ccc3F)cn2c1
InChIInChI=1S/C20H17FN6O3S/c1-11(2)30-20(29)25-13-6-23-19-26-16(9-27(19)8-13)14-5-12(3-4-15(14)21)24-18(28)17-7-22-10-31-17/h3-11H,1-2H3,(H,24,28)(H,25,29)
InChIKeyMSQCSWVEJBTIGU-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.20
Rot. Bonds5

About propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate

propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate (PubChem CID 86295754) has the molecular formula C20H17FN6O3S and a molecular weight of 440.46 g/mol. Its IUPAC name is propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
PubChem CID86295754
Molecular FormulaC20H17FN6O3S
Molecular Weight440.46 g/mol
Exact Mass440.11
IUPAC Namepropan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
SMILESCC(C)OC(=O)Nc1cnc2nc(-c3cc(NC(=O)c4cncs4)ccc3F)cn2c1
InChIInChI=1S/C20H17FN6O3S/c1-11(2)30-20(29)25-13-6-23-19-26-16(9-27(19)8-13)14-5-12(3-4-15(14)21)24-18(28)17-7-22-10-31-17/h3-11H,1-2H3,(H,24,28)(H,25,29)
InChIKeyMSQCSWVEJBTIGU-UHFFFAOYSA-N
XLogP4.20
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The IUPAC name of propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate (CID 86295754) is propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The canonical SMILES for propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate is CC(C)OC(=O)Nc1cnc2nc(-c3cc(NC(=O)c4cncs4)ccc3F)cn2c1.
What is the InChIKey of propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The InChIKey is MSQCSWVEJBTIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O3S/c1-11(2)30-20(29)25-13-6-23-19-26-16(9-27(19)8-13)14-5-12(3-4-15(14)21)24-18(28)17-7-22-10-31-17/h3-11H,1-2H3,(H,24,28)(H,25,29).
What are the key properties of propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate has a molecular weight of 440.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate is sourced from PubChem (CID 86295754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).