N-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine

C17H20N4OS — CID 146140522

IUPACN-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1nn(C)cc1[C@@H]1OCC[C@H]1Nc1nc2c(C)cccc2s1
InChIInChI=1S/C17H20N4OS/c1-10-5-4-6-14-15(10)19-17(23-14)18-13-7-8-22-16(13)12-9-21(3)20-11(12)2/h4-6,9,13,16H,7-8H2,1-3H3,(H,18,19)/t13-,16+/m1/s1
InChIKeyJUCZYRCOXXONHB-CJNGLKHVSA-N
MW328.44 g/mol
LogP3.59
Rot. Bonds3

About N-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine

N-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 146140522) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine
PubChem CID146140522
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1nn(C)cc1[C@@H]1OCC[C@H]1Nc1nc2c(C)cccc2s1
InChIInChI=1S/C17H20N4OS/c1-10-5-4-6-14-15(10)19-17(23-14)18-13-7-8-22-16(13)12-9-21(3)20-11(12)2/h4-6,9,13,16H,7-8H2,1-3H3,(H,18,19)/t13-,16+/m1/s1
InChIKeyJUCZYRCOXXONHB-CJNGLKHVSA-N
XLogP3.59
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine (CID 146140522) is N-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine is Cc1nn(C)cc1[C@@H]1OCC[C@H]1Nc1nc2c(C)cccc2s1.
What is the InChIKey of N-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is JUCZYRCOXXONHB-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-10-5-4-6-14-15(10)19-17(23-14)18-13-7-8-22-16(13)12-9-21(3)20-11(12)2/h4-6,9,13,16H,7-8H2,1-3H3,(H,18,19)/t13-,16+/m1/s1.
What are the key properties of N-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine?
N-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 328.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 146140522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).