N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide

C19H14N4O2S — CID 121167812

IUPACN-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C19H14N4O2S/c24-18(23-19-22-14-8-4-5-9-16(14)26-19)15-10-17(21-12-20-15)25-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,22,23,24)
InChIKeyUKYTVMUGOABIAG-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.92
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide

N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide (PubChem CID 121167812) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
PubChem CID121167812
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C19H14N4O2S/c24-18(23-19-22-14-8-4-5-9-16(14)26-19)15-10-17(21-12-20-15)25-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,22,23,24)
InChIKeyUKYTVMUGOABIAG-UHFFFAOYSA-N
XLogP3.92
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167926
N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167837
6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 121167975
N-(4-chloro-3-nitrophenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167939
N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 8550950
N-(3-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167809
methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167799
N-(1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156362
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558353
N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
CID 4505668
6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
CID 121167400
N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide
CID 113264920

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide (CID 121167812) is N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide is O=C(Nc1nc2ccccc2s1)c1cc(OCc2ccccc2)ncn1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide?
The InChIKey is UKYTVMUGOABIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-18(23-19-22-14-8-4-5-9-16(14)26-19)15-10-17(21-12-20-15)25-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,22,23,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 121167812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).