N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine

C15H15N3S — CID 116812140

IUPACN-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2ccnc3ccccc23)s1
InChIInChI=1S/C15H15N3S/c1-2-8-17-15-18-10-14(19-15)12-7-9-16-13-6-4-3-5-11(12)13/h3-7,9-10H,2,8H2,1H3,(H,17,18)
InChIKeyXGCBCZVTSPDOOB-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.18
Rot. Bonds4

About N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine

N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine (PubChem CID 116812140) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine
PubChem CID116812140
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2ccnc3ccccc23)s1
InChIInChI=1S/C15H15N3S/c1-2-8-17-15-18-10-14(19-15)12-7-9-16-13-6-4-3-5-11(12)13/h3-7,9-10H,2,8H2,1H3,(H,17,18)
InChIKeyXGCBCZVTSPDOOB-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine (CID 116812140) is N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine is CCCNc1ncc(-c2ccnc3ccccc23)s1.
What is the InChIKey of N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine?
The InChIKey is XGCBCZVTSPDOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-8-17-15-18-10-14(19-15)12-7-9-16-13-6-4-3-5-11(12)13/h3-7,9-10H,2,8H2,1H3,(H,17,18).
What are the key properties of N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine?
N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine has a molecular weight of 269.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 116812140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).