N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol

C22H28N4O4S — CID 142389717

IUPACN-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol
SMILESCOc1cc(OCc2ccnc(NC(C)=O)c2)cc2sc(N)nc12.OC1CCCCC1
InChIInChI=1S/C16H16N4O3S.C6H12O/c1-9(21)19-14-5-10(3-4-18-14)8-23-11-6-12(22-2)15-13(7-11)24-16(17)20-15;7-6-4-2-1-3-5-6/h3-7H,8H2,1-2H3,(H2,17,20)(H,18,19,21);6-7H,1-5H2
InChIKeyVURWKQBBGLJFAD-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.13
Rot. Bonds5

About N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol

N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol (PubChem CID 142389717) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol.

Molecular Properties

Compound NameN-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol
PubChem CID142389717
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC NameN-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol
SMILESCOc1cc(OCc2ccnc(NC(C)=O)c2)cc2sc(N)nc12.OC1CCCCC1
InChIInChI=1S/C16H16N4O3S.C6H12O/c1-9(21)19-14-5-10(3-4-18-14)8-23-11-6-12(22-2)15-13(7-11)24-16(17)20-15;7-6-4-2-1-3-5-6/h3-7H,8H2,1-2H3,(H2,17,20)(H,18,19,21);6-7H,1-5H2
InChIKeyVURWKQBBGLJFAD-UHFFFAOYSA-N
XLogP4.13
TPSA119.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol with MolForge

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Related Compounds

1-[4-[[2-[[(2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-yl]oxymethyl]-2-pyridinyl]-3-methylurea
CID 135169370
1-[4-[[2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-yl]oxymethyl]-2-pyridinyl]-3-methylurea
CID 135157004
N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine
CID 142389736
N-[4-(methoxymethyl)-2-pyridinyl]acetamide
CID 59578573
N-[4-(aminooxymethyl)-2-pyridinyl]acetamide
CID 45119420
6-[(2-bromo-4-pyridinyl)methoxy]-4-methoxy-N-methyl-1,3-benzothiazol-2-amine;propane
CID 142389739
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide
CID 91680807
(1S)-2-[[4-methoxy-6-[[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 135169669
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168522593
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680458
propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate
CID 88610213
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide
CID 91680564

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol?
The IUPAC name of N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol (CID 142389717) is N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol.
What is the SMILES notation for N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol?
The canonical SMILES for N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol is COc1cc(OCc2ccnc(NC(C)=O)c2)cc2sc(N)nc12.OC1CCCCC1.
What is the InChIKey of N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol?
The InChIKey is VURWKQBBGLJFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S.C6H12O/c1-9(21)19-14-5-10(3-4-18-14)8-23-11-6-12(22-2)15-13(7-11)24-16(17)20-15;7-6-4-2-1-3-5-6/h3-7H,8H2,1-2H3,(H2,17,20)(H,18,19,21);6-7H,1-5H2.
What are the key properties of N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol?
N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol has a molecular weight of 444.56 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol is sourced from PubChem (CID 142389717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).