4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine

C14H17N3O2S2 — CID 63947239

IUPAC4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1S(=O)(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C14H17N3O2S2/c1-9-7-11-5-3-4-6-12(11)17(8-9)21(18,19)13-10(2)16-14(15)20-13/h3-6,9H,7-8H2,1-2H3,(H2,15,16)
InChIKeyGBMPYHQVYQSAPG-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.42
Rot. Bonds2

About 4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine

4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine (PubChem CID 63947239) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine
PubChem CID63947239
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1S(=O)(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C14H17N3O2S2/c1-9-7-11-5-3-4-6-12(11)17(8-9)21(18,19)13-10(2)16-14(15)20-13/h3-6,9H,7-8H2,1-2H3,(H2,15,16)
InChIKeyGBMPYHQVYQSAPG-UHFFFAOYSA-N
XLogP2.42
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-(4-Piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 1285323
N-(4-(2-amino-1,3-thiazol-4-yl)phenyl)-N-methylmethanesulfonamide
CID 2560328
N-(2-methylpropyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine
CID 9343332
5-(4-fluorophenyl)sulfonyl-4H-[1,3]thiazolo[5,4-c]quinolin-2-amine
CID 141731354
4-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 176658268
4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 9343863
4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propyl-1,3-thiazol-2-amine
CID 25498231
N-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine
CID 9173944
N-[(4-fluorophenyl)methyl]-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine
CID 9423125
N-(2-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine
CID 32369715
2-amino-N-ethyl-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63945418
2-amino-N-ethyl-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63945419

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine (CID 63947239) is 4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine is Cc1nc(N)sc1S(=O)(=O)N1CC(C)Cc2ccccc21.
What is the InChIKey of 4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine?
The InChIKey is GBMPYHQVYQSAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-9-7-11-5-3-4-6-12(11)17(8-9)21(18,19)13-10(2)16-14(15)20-13/h3-6,9H,7-8H2,1-2H3,(H2,15,16).
What are the key properties of 4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine?
4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine has a molecular weight of 323.44 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63947239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).