N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine

C18H20N4OS — CID 97189278

IUPACN-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine
SMILESC[C@@H]1CN(c2ccc(Nc3nc4ccccc4s3)cn2)C[C@H](C)O1
InChIInChI=1S/C18H20N4OS/c1-12-10-22(11-13(2)23-12)17-8-7-14(9-19-17)20-18-21-15-5-3-4-6-16(15)24-18/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)/t12-,13+
InChIKeyVTCQGSQXOSMQPX-BETUJISGSA-N
MW340.45 g/mol
LogP4.05
Rot. Bonds3

About N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine

N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine (PubChem CID 97189278) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine
PubChem CID97189278
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine
SMILESC[C@@H]1CN(c2ccc(Nc3nc4ccccc4s3)cn2)C[C@H](C)O1
InChIInChI=1S/C18H20N4OS/c1-12-10-22(11-13(2)23-12)17-8-7-14(9-19-17)20-18-21-15-5-3-4-6-16(15)24-18/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)/t12-,13+
InChIKeyVTCQGSQXOSMQPX-BETUJISGSA-N
XLogP4.05
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 75404111
6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile
CID 95576110
N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
(2R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)morpholine
CID 143577570
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine
CID 99788867
[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 30047687
N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 2360618
(2S,6R)-2,6-dimethyl-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]morpholine
CID 141223512
N-[4-[[4-(1,3-benzothiazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzothiazol-2-amine
CID 14688876
N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55786099
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-2-ylpropanamide
CID 51958831

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine (CID 97189278) is N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine is C[C@@H]1CN(c2ccc(Nc3nc4ccccc4s3)cn2)C[C@H](C)O1.
What is the InChIKey of N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine?
The InChIKey is VTCQGSQXOSMQPX-BETUJISGSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-10-22(11-13(2)23-12)17-8-7-14(9-19-17)20-18-21-15-5-3-4-6-16(15)24-18/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)/t12-,13+.
What are the key properties of N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine?
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine has a molecular weight of 340.45 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 97189278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).