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

C16H21N3O2S2 — CID 25498231

IUPAC4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1
InChIInChI=1S/C16H21N3O2S2/c1-3-8-17-16-18-14(11-22-16)12-6-7-15-13(10-12)5-4-9-19(15)23(2,20)21/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyOSWIITPCYWSYKG-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.34
Rot. Bonds5

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

4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 25498231) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propyl-1,3-thiazol-2-amine
PubChem CID25498231
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC Name4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1
InChIInChI=1S/C16H21N3O2S2/c1-3-8-17-16-18-14(11-22-16)12-6-7-15-13(10-12)5-4-9-19(15)23(2,20)21/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyOSWIITPCYWSYKG-UHFFFAOYSA-N
XLogP3.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propyl-1,3-thiazol-2-amine (CID 25498231) is 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propyl-1,3-thiazol-2-amine is CCCNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1.
What is the InChIKey of 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is OSWIITPCYWSYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-3-8-17-16-18-14(11-22-16)12-6-7-15-13(10-12)5-4-9-19(15)23(2,20)21/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propyl-1,3-thiazol-2-amine?
4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 351.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 25498231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).