N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide

C14H11ClN4O2S — CID 86240110

IUPACN-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1nc(Cl)cc(-c2ccc3nc(NC(C)=O)sc3c2)n1
InChIInChI=1S/C14H11ClN4O2S/c1-7(20)16-14-18-9-4-3-8(5-11(9)22-14)10-6-12(15)19-13(17-10)21-2/h3-6H,1-2H3,(H,16,18,20)
InChIKeyJYMRCRMTKZCQMS-UHFFFAOYSA-N
MW334.79 g/mol
LogP3.37
Rot. Bonds3

About N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide

N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 86240110) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID86240110
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC NameN-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1nc(Cl)cc(-c2ccc3nc(NC(C)=O)sc3c2)n1
InChIInChI=1S/C14H11ClN4O2S/c1-7(20)16-14-18-9-4-3-8(5-11(9)22-14)10-6-12(15)19-13(17-10)21-2/h3-6H,1-2H3,(H,16,18,20)
InChIKeyJYMRCRMTKZCQMS-UHFFFAOYSA-N
XLogP3.37
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 51354316
N-[6-[2-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
CID 25182867
N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide
CID 132578588
N-[6-[2-(pyridin-4-ylmethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
CID 25182282
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
[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-chloro-3-pyridinyl]-carboxycarbamic acid
CID 87557292
N-[6-[2-(4-methoxy-2-methylphenyl)sulfanylpyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
CID 25182428
2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 39046251
2-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate
CID 134203882
N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 44623339

Frequently Asked Questions

What is the IUPAC name of N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide (CID 86240110) is N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide is COc1nc(Cl)cc(-c2ccc3nc(NC(C)=O)sc3c2)n1.
What is the InChIKey of N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is JYMRCRMTKZCQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c1-7(20)16-14-18-9-4-3-8(5-11(9)22-14)10-6-12(15)19-13(17-10)21-2/h3-6H,1-2H3,(H,16,18,20).
What are the key properties of N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide?
N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 334.79 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 86240110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).