4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine

C18H18N4O2S2 — CID 31264981

IUPAC4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCCc2cc(-c3csc(Nc4ccccn4)n3)ccc21
InChIInChI=1S/C18H18N4O2S2/c1-26(23,24)22-10-4-5-14-11-13(7-8-16(14)22)15-12-25-18(20-15)21-17-6-2-3-9-19-17/h2-3,6-9,11-12H,4-5,10H2,1H3,(H,19,20,21)
InChIKeyNOQRMFXRZDQDKJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.66
Rot. Bonds4

About 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine

4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 31264981) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID31264981
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC Name4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCCc2cc(-c3csc(Nc4ccccn4)n3)ccc21
InChIInChI=1S/C18H18N4O2S2/c1-26(23,24)22-10-4-5-14-11-13(7-8-16(14)22)15-12-25-18(20-15)21-17-6-2-3-9-19-17/h2-3,6-9,11-12H,4-5,10H2,1H3,(H,19,20,21)
InChIKeyNOQRMFXRZDQDKJ-UHFFFAOYSA-N
XLogP3.66
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 31264981) is 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is CS(=O)(=O)N1CCCc2cc(-c3csc(Nc4ccccn4)n3)ccc21.
What is the InChIKey of 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is NOQRMFXRZDQDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-26(23,24)22-10-4-5-14-11-13(7-8-16(14)22)15-12-25-18(20-15)21-17-6-2-3-9-19-17/h2-3,6-9,11-12H,4-5,10H2,1H3,(H,19,20,21).
What are the key properties of 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 386.50 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 31264981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).