N-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

C20H20N4O2S — CID 170076816

IUPACN-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2ccc(-c3cnc(COC4CCC4)nc3)cc2s1)C1CC1
InChIInChI=1S/C20H20N4O2S/c25-19(12-4-5-12)24-20-23-16-7-6-13(8-17(16)27-20)14-9-21-18(22-10-14)11-26-15-2-1-3-15/h6-10,12,15H,1-5,11H2,(H,23,24,25)
InChIKeyZVIXYLIPEMYBMD-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.17
Rot. Bonds6

About N-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

N-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (PubChem CID 170076816) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
PubChem CID170076816
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2ccc(-c3cnc(COC4CCC4)nc3)cc2s1)C1CC1
InChIInChI=1S/C20H20N4O2S/c25-19(12-4-5-12)24-20-23-16-7-6-13(8-17(16)27-20)14-9-21-18(22-10-14)11-26-15-2-1-3-15/h6-10,12,15H,1-5,11H2,(H,23,24,25)
InChIKeyZVIXYLIPEMYBMD-UHFFFAOYSA-N
XLogP4.17
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (CID 170076816) is N-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2ccc(-c3cnc(COC4CCC4)nc3)cc2s1)C1CC1.
What is the InChIKey of N-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is ZVIXYLIPEMYBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-19(12-4-5-12)24-20-23-16-7-6-13(8-17(16)27-20)14-9-21-18(22-10-14)11-26-15-2-1-3-15/h6-10,12,15H,1-5,11H2,(H,23,24,25).
What are the key properties of N-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
N-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(cyclobutyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170076816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).