N-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

C19H15N5O2S — CID 25182282

IUPACN-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccnc(OCc4ccncc4)n3)cc2s1
InChIInChI=1S/C19H15N5O2S/c1-12(25)22-19-24-16-3-2-14(10-17(16)27-19)15-6-9-21-18(23-15)26-11-13-4-7-20-8-5-13/h2-10H,11H2,1H3,(H,22,24,25)
InChIKeyLDXNFOYRNGTPAY-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.69
Rot. Bonds5

About N-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

N-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 25182282) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID25182282
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC NameN-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccnc(OCc4ccncc4)n3)cc2s1
InChIInChI=1S/C19H15N5O2S/c1-12(25)22-19-24-16-3-2-14(10-17(16)27-19)15-6-9-21-18(23-15)26-11-13-4-7-20-8-5-13/h2-10H,11H2,1H3,(H,22,24,25)
InChIKeyLDXNFOYRNGTPAY-UHFFFAOYSA-N
XLogP3.69
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[2-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
CID 25182867
N-[6-[2-(1-phenylpropan-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
CID 91265039
N-[6-[2-(4-methoxy-2-methylphenyl)sulfanylpyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
CID 25182428
N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide
CID 86240110
N-[6-[2-(4-fluorophenyl)sulfanylpyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
CID 25182427
N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 51354316
N-[6-(2-heptan-3-ylpyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide;1-propoxypropane
CID 143757655
N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
CID 143757565
N-[6-(6-ethyl-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
CID 118721835
N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide
CID 132578588
N-[6-[2-(2-tert-butylphenyl)sulfanyl-4-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 87636225
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (CID 25182282) is N-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3ccnc(OCc4ccncc4)n3)cc2s1.
What is the InChIKey of N-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is LDXNFOYRNGTPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c1-12(25)22-19-24-16-3-2-14(10-17(16)27-19)15-6-9-21-18(23-15)26-11-13-4-7-20-8-5-13/h2-10H,11H2,1H3,(H,22,24,25).
What are the key properties of N-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 377.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 25182282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).