[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone

C13H16N4OS — CID 23442752

IUPAC[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)c1cnc(NCCCN)s1
InChIInChI=1S/C13H16N4OS/c1-9-10(4-2-6-15-9)12(18)11-8-17-13(19-11)16-7-3-5-14/h2,4,6,8H,3,5,7,14H2,1H3,(H,16,17)
InChIKeyUXPWSGDIANFITB-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.84
Rot. Bonds6

About [2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone

[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 23442752) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is [2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone
PubChem CID23442752
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)c1cnc(NCCCN)s1
InChIInChI=1S/C13H16N4OS/c1-9-10(4-2-6-15-9)12(18)11-8-17-13(19-11)16-7-3-5-14/h2,4,6,8H,3,5,7,14H2,1H3,(H,16,17)
InChIKeyUXPWSGDIANFITB-UHFFFAOYSA-N
XLogP1.84
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
CID 23442548
[2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride
CID 142276499
2-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butyl]benzenesulfonamide
CID 141075227
3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl cyclohexanecarboxylate
CID 174464186
4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
CID 23442573
2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid
CID 130569064
5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide
CID 23442503
N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]thiophene-3-sulfonamide
CID 90709866
(5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105122606
5-fluoro-N,2-dimethyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442639
1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea
CID 23442545
5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442567

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of [2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone (CID 23442752) is [2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for [2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone is Cc1ncccc1C(=O)c1cnc(NCCCN)s1.
What is the InChIKey of [2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is UXPWSGDIANFITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-10(4-2-6-15-9)12(18)11-8-17-13(19-11)16-7-3-5-14/h2,4,6,8H,3,5,7,14H2,1H3,(H,16,17).
What are the key properties of [2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone?
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone has a molecular weight of 276.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 23442752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).