N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide

C16H16N2O3S — CID 171359773

IUPACN-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
SMILESCOC[C@H](NC(=O)c1nc2ccccc2s1)c1ccc(C)o1
InChIInChI=1S/C16H16N2O3S/c1-10-7-8-13(21-10)12(9-20-2)17-15(19)16-18-11-5-3-4-6-14(11)22-16/h3-8,12H,9H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyFPSBTYQSSAOGGF-LBPRGKRZSA-N
MW316.38 g/mol
LogP3.32
Rot. Bonds5

About N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide

N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 171359773) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
PubChem CID171359773
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
SMILESCOC[C@H](NC(=O)c1nc2ccccc2s1)c1ccc(C)o1
InChIInChI=1S/C16H16N2O3S/c1-10-7-8-13(21-10)12(9-20-2)17-15(19)16-18-11-5-3-4-6-14(11)22-16/h3-8,12H,9H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyFPSBTYQSSAOGGF-LBPRGKRZSA-N
XLogP3.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
CID 111562734
N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide
CID 110488503
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 124891454
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzothiazole-2-carboxamide
CID 119104098
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 16917858
3-(1,3-benzothiazol-2-yl)-4-(5-methylfuran-2-yl)but-3-enoic acid
CID 4198663
N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-pyrazol-1-ylbenzamide
CID 71983216
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
CID 2377381
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
[(1S)-2-(1,3-benzothiazole-2-carbonylamino)-1-phenylethyl]-dimethylazanium
CID 2377380
2-[2-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]phenyl]sulfanylpropanoic acid
CID 120552765

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide (CID 171359773) is N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide is COC[C@H](NC(=O)c1nc2ccccc2s1)c1ccc(C)o1.
What is the InChIKey of N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is FPSBTYQSSAOGGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-10-7-8-13(21-10)12(9-20-2)17-15(19)16-18-11-5-3-4-6-14(11)22-16/h3-8,12H,9H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide?
N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 171359773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).