3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide

C15H19N3S — CID 54996763

IUPAC3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide
SMILESCC(C)N(CCC(N)=S)c1ccc2ccccc2n1
InChIInChI=1S/C15H19N3S/c1-11(2)18(10-9-14(16)19)15-8-7-12-5-3-4-6-13(12)17-15/h3-8,11H,9-10H2,1-2H3,(H2,16,19)
InChIKeyYRBQNGCBLNJMAT-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.13
Rot. Bonds5

About 3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide

3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide (PubChem CID 54996763) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide.

Molecular Properties

Compound Name3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide
PubChem CID54996763
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide
SMILESCC(C)N(CCC(N)=S)c1ccc2ccccc2n1
InChIInChI=1S/C15H19N3S/c1-11(2)18(10-9-14(16)19)15-8-7-12-5-3-4-6-13(12)17-15/h3-8,11H,9-10H2,1-2H3,(H2,16,19)
InChIKeyYRBQNGCBLNJMAT-UHFFFAOYSA-N
XLogP3.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Quipazine
CID 5011
2-Aminoquinoline
CID 11379
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
N-Methylquipazine
CID 5013
BU 224
CID 2457
Importazole
CID 2949965
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
4-Methyl-2-quinazolinamine
CID 269325
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide?
The IUPAC name of 3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide (CID 54996763) is 3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide.
What is the SMILES notation for 3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide?
The canonical SMILES for 3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide is CC(C)N(CCC(N)=S)c1ccc2ccccc2n1.
What is the InChIKey of 3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide?
The InChIKey is YRBQNGCBLNJMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11(2)18(10-9-14(16)19)15-8-7-12-5-3-4-6-13(12)17-15/h3-8,11H,9-10H2,1-2H3,(H2,16,19).
What are the key properties of 3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide?
3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide has a molecular weight of 273.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide is sourced from PubChem (CID 54996763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).