N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine

C21H19N5S — CID 70169914

IUPACN-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine
SMILESCc1cnccc1-c1cccnc1NC1CN(c2nc3ccccc3s2)C1
InChIInChI=1S/C21H19N5S/c1-14-11-22-10-8-16(14)17-5-4-9-23-20(17)24-15-12-26(13-15)21-25-18-6-2-3-7-19(18)27-21/h2-11,15H,12-13H2,1H3,(H,23,24)
InChIKeyTYVXZKBGOZSWQB-UHFFFAOYSA-N
MW373.49 g/mol
LogP4.36
Rot. Bonds4

About N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine

N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine (PubChem CID 70169914) has the molecular formula C21H19N5S and a molecular weight of 373.49 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine
PubChem CID70169914
Molecular FormulaC21H19N5S
Molecular Weight373.49 g/mol
Exact Mass373.14
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine
SMILESCc1cnccc1-c1cccnc1NC1CN(c2nc3ccccc3s2)C1
InChIInChI=1S/C21H19N5S/c1-14-11-22-10-8-16(14)17-5-4-9-23-20(17)24-15-12-26(13-15)21-25-18-6-2-3-7-19(18)27-21/h2-11,15H,12-13H2,1H3,(H,23,24)
InChIKeyTYVXZKBGOZSWQB-UHFFFAOYSA-N
XLogP4.36
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 70733932
2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-benzothiazole
CID 129479789
2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)-1,3-benzothiazole
CID 155975559
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,3-benzothiazole
CID 60916528
2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 154575945
1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90604056
1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide
CID 90603975
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 26320561
5-acetyl-N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 45228990
2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 155975188
2-[(3S)-3-methylpiperazin-1-yl]-1,3-benzothiazole
CID 94450634

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine (CID 70169914) is N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine is Cc1cnccc1-c1cccnc1NC1CN(c2nc3ccccc3s2)C1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine?
The InChIKey is TYVXZKBGOZSWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5S/c1-14-11-22-10-8-16(14)17-5-4-9-23-20(17)24-15-12-26(13-15)21-25-18-6-2-3-7-19(18)27-21/h2-11,15H,12-13H2,1H3,(H,23,24).
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine?
N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine has a molecular weight of 373.49 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 70169914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).