6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine

C18H19N5S — CID 165395931

IUPAC6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc4nc(N)sc4c3)n1)CCC2
InChIInChI=1S/C18H19N5S/c1-10-7-8-23(10)18-21-13-4-2-3-12(13)16(22-18)11-5-6-14-15(9-11)24-17(19)20-14/h5-6,9-10H,2-4,7-8H2,1H3,(H2,19,20)/t10-/m0/s1
InChIKeyWIBAUJZHBXVHJW-JTQLQIEISA-N
MW337.45 g/mol
LogP3.42
Rot. Bonds2

About 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine

6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine (PubChem CID 165395931) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine
PubChem CID165395931
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC Name6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc4nc(N)sc4c3)n1)CCC2
InChIInChI=1S/C18H19N5S/c1-10-7-8-23(10)18-21-13-4-2-3-12(13)16(22-18)11-5-6-14-15(9-11)24-17(19)20-14/h5-6,9-10H,2-4,7-8H2,1H3,(H2,19,20)/t10-/m0/s1
InChIKeyWIBAUJZHBXVHJW-JTQLQIEISA-N
XLogP3.42
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine (CID 165395931) is 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine is C[C@H]1CCN1c1nc2c(c(-c3ccc4nc(N)sc4c3)n1)CCC2.
What is the InChIKey of 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine?
The InChIKey is WIBAUJZHBXVHJW-JTQLQIEISA-N. The full InChI is InChI=1S/C18H19N5S/c1-10-7-8-23(10)18-21-13-4-2-3-12(13)16(22-18)11-5-6-14-15(9-11)24-17(19)20-14/h5-6,9-10H,2-4,7-8H2,1H3,(H2,19,20)/t10-/m0/s1.
What are the key properties of 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine?
6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine has a molecular weight of 337.45 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 165395931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).