N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine

C19H23N5OS — CID 171328991

IUPACN-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCOc1ccc2sc(N3CCC(N(C)c4ncc(C)cn4)CC3)nc2c1
InChIInChI=1S/C19H23N5OS/c1-13-11-20-18(21-12-13)23(2)14-6-8-24(9-7-14)19-22-16-10-15(25-3)4-5-17(16)26-19/h4-5,10-12,14H,6-9H2,1-3H3
InChIKeyVYZDCNDGPLOKSL-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.51
Rot. Bonds4

About N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine

N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine (PubChem CID 171328991) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
PubChem CID171328991
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCOc1ccc2sc(N3CCC(N(C)c4ncc(C)cn4)CC3)nc2c1
InChIInChI=1S/C19H23N5OS/c1-13-11-20-18(21-12-13)23(2)14-6-8-24(9-7-14)19-22-16-10-15(25-3)4-5-17(16)26-19/h4-5,10-12,14H,6-9H2,1-3H3
InChIKeyVYZDCNDGPLOKSL-UHFFFAOYSA-N
XLogP3.51
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
CID 171328851
2-[3-(difluoromethyl)azetidin-1-yl]-5-methoxy-1,3-benzothiazole
CID 171326826
4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
CID 172900508
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole
CID 16941535
N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 163357177
2-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-1,3-benzothiazole
CID 163349331
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175651033
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90611568
1-[4-(5-methoxy-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 171336024
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172892330
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 163346079

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine (CID 171328991) is N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine is COc1ccc2sc(N3CCC(N(C)c4ncc(C)cn4)CC3)nc2c1.
What is the InChIKey of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine?
The InChIKey is VYZDCNDGPLOKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13-11-20-18(21-12-13)23(2)14-6-8-24(9-7-14)19-22-16-10-15(25-3)4-5-17(16)26-19/h4-5,10-12,14H,6-9H2,1-3H3.
What are the key properties of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine?
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine has a molecular weight of 369.49 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 171328991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).