2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline

C15H17N3S — CID 67758296

IUPAC2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline
SMILESCN1CCC(c2nc3c(s2)CCc2cccnc2-3)C1
InChIInChI=1S/C15H17N3S/c1-18-8-6-11(9-18)15-17-14-12(19-15)5-4-10-3-2-7-16-13(10)14/h2-3,7,11H,4-6,8-9H2,1H3
InChIKeyCZKXGPDXMHYBTE-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.72
Rot. Bonds1

About 2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline

2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline (PubChem CID 67758296) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline
PubChem CID67758296
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline
SMILESCN1CCC(c2nc3c(s2)CCc2cccnc2-3)C1
InChIInChI=1S/C15H17N3S/c1-18-8-6-11(9-18)15-17-14-12(19-15)5-4-10-3-2-7-16-13(10)14/h2-3,7,11H,4-6,8-9H2,1H3
InChIKeyCZKXGPDXMHYBTE-UHFFFAOYSA-N
XLogP2.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105038
5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene
CID 69489601
13-(2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-13-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
CID 11671375
3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117160406
1,3-dimethylpiperidine;2-(1-methylpiperidin-4-yl)-1,3-benzothiazole
CID 178053049
1-methyl-5-thieno[2,3-b]pyridin-3-ylpiperidin-3-amine
CID 82383679
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
CID 143376446
3-(1-methylpyrrolidin-2-yl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160229
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 22486148
N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine
CID 167984914
3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884905
2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 116852170

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline (CID 67758296) is 2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline is CN1CCC(c2nc3c(s2)CCc2cccnc2-3)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline?
The InChIKey is CZKXGPDXMHYBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-18-8-6-11(9-18)15-17-14-12(19-15)5-4-10-3-2-7-16-13(10)14/h2-3,7,11H,4-6,8-9H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline?
2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline has a molecular weight of 271.39 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline is sourced from PubChem (CID 67758296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).