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

C17H23N3O2S2 — CID 9343332

IUPACN-(2-methylpropyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1
InChIInChI=1S/C17H23N3O2S2/c1-12(2)10-18-17-19-15(11-23-17)13-6-7-16-14(9-13)5-4-8-20(16)24(3,21)22/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,18,19)
InChIKeyINUGSIVTYVNOJD-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.59
Rot. Bonds5

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

N-(2-methylpropyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine (PubChem CID 9343332) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine
PubChem CID9343332
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC NameN-(2-methylpropyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1
InChIInChI=1S/C17H23N3O2S2/c1-12(2)10-18-17-19-15(11-23-17)13-6-7-16-14(9-13)5-4-8-20(16)24(3,21)22/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,18,19)
InChIKeyINUGSIVTYVNOJD-UHFFFAOYSA-N
XLogP3.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine (CID 9343332) is N-(2-methylpropyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine is CC(C)CNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1.
What is the InChIKey of N-(2-methylpropyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is INUGSIVTYVNOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-12(2)10-18-17-19-15(11-23-17)13-6-7-16-14(9-13)5-4-8-20(16)24(3,21)22/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methylpropyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine?
N-(2-methylpropyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 365.52 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 9343332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).