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

C21H20N6O3S — CID 86297556

IUPACpropan-2-yl N-[2-[3-[(5-methyl-1,3-thiazole-2-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
SMILESCc1cnc(C(=O)Nc2cccc(-c3cn4cc(NC(=O)OC(C)C)cnc4n3)c2)s1
InChIInChI=1S/C21H20N6O3S/c1-12(2)30-21(29)25-16-9-23-20-26-17(11-27(20)10-16)14-5-4-6-15(7-14)24-18(28)19-22-8-13(3)31-19/h4-12H,1-3H3,(H,24,28)(H,25,29)
InChIKeyGNNNEQAPIFZXGV-UHFFFAOYSA-N
MW436.50 g/mol
LogP4.37
Rot. Bonds5

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

propan-2-yl N-[2-[3-[(5-methyl-1,3-thiazole-2-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate (PubChem CID 86297556) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is propan-2-yl N-[2-[3-[(5-methyl-1,3-thiazole-2-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-[3-[(5-methyl-1,3-thiazole-2-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
PubChem CID86297556
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC Namepropan-2-yl N-[2-[3-[(5-methyl-1,3-thiazole-2-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
SMILESCc1cnc(C(=O)Nc2cccc(-c3cn4cc(NC(=O)OC(C)C)cnc4n3)c2)s1
InChIInChI=1S/C21H20N6O3S/c1-12(2)30-21(29)25-16-9-23-20-26-17(11-27(20)10-16)14-5-4-6-15(7-14)24-18(28)19-22-8-13(3)31-19/h4-12H,1-3H3,(H,24,28)(H,25,29)
InChIKeyGNNNEQAPIFZXGV-UHFFFAOYSA-N
XLogP4.37
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 54.37
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-[3-[(5-methyl-1,3-thiazole-2-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The IUPAC name of propan-2-yl N-[2-[3-[(5-methyl-1,3-thiazole-2-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate (CID 86297556) is propan-2-yl N-[2-[3-[(5-methyl-1,3-thiazole-2-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-[3-[(5-methyl-1,3-thiazole-2-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The canonical SMILES for propan-2-yl N-[2-[3-[(5-methyl-1,3-thiazole-2-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate is Cc1cnc(C(=O)Nc2cccc(-c3cn4cc(NC(=O)OC(C)C)cnc4n3)c2)s1.
What is the InChIKey of propan-2-yl N-[2-[3-[(5-methyl-1,3-thiazole-2-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The InChIKey is GNNNEQAPIFZXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c1-12(2)30-21(29)25-16-9-23-20-26-17(11-27(20)10-16)14-5-4-6-15(7-14)24-18(28)19-22-8-13(3)31-19/h4-12H,1-3H3,(H,24,28)(H,25,29).
What are the key properties of propan-2-yl N-[2-[3-[(5-methyl-1,3-thiazole-2-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
propan-2-yl N-[2-[3-[(5-methyl-1,3-thiazole-2-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate has a molecular weight of 436.50 g/mol, XLogP of 4.37, 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-[3-[(5-methyl-1,3-thiazole-2-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate is sourced from PubChem (CID 86297556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).