[2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride

C16H24ClN3OS — CID 142276499

IUPAC[2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride
SMILESCCCN.CCNc1ncc(C(=O)c2ccccc2C)s1.Cl
InChIInChI=1S/C13H14N2OS.C3H9N.ClH/c1-3-14-13-15-8-11(17-13)12(16)10-7-5-4-6-9(10)2;1-2-3-4;/h4-8H,3H2,1-2H3,(H,14,15);2-4H2,1H3;1H
InChIKeyZZHHUAMASHIMML-UHFFFAOYSA-N
MW341.91 g/mol
LogP3.89
Rot. Bonds5

About [2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride

[2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride (PubChem CID 142276499) has the molecular formula C16H24ClN3OS and a molecular weight of 341.91 g/mol. Its IUPAC name is [2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride.

Molecular Properties

Compound Name[2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride
PubChem CID142276499
Molecular FormulaC16H24ClN3OS
Molecular Weight341.91 g/mol
Exact Mass341.13
IUPAC Name[2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride
SMILESCCCN.CCNc1ncc(C(=O)c2ccccc2C)s1.Cl
InChIInChI=1S/C13H14N2OS.C3H9N.ClH/c1-3-14-13-15-8-11(17-13)12(16)10-7-5-4-6-9(10)2;1-2-3-4;/h4-8H,3H2,1-2H3,(H,14,15);2-4H2,1H3;1H
InChIKeyZZHHUAMASHIMML-UHFFFAOYSA-N
XLogP3.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.91
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride 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-nitrophenyl)methanone
CID 174379386
3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide
CID 87855514
2-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butyl]benzenesulfonamide
CID 141075227
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone
CID 23442752
[2-[4-(aminomethyl)anilino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzamide
CID 87854282
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
1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea
CID 23442545
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
N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide
CID 11223972

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride?
The IUPAC name of [2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride (CID 142276499) is [2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride.
What is the SMILES notation for [2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride?
The canonical SMILES for [2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride is CCCN.CCNc1ncc(C(=O)c2ccccc2C)s1.Cl.
What is the InChIKey of [2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride?
The InChIKey is ZZHHUAMASHIMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS.C3H9N.ClH/c1-3-14-13-15-8-11(17-13)12(16)10-7-5-4-6-9(10)2;1-2-3-4;/h4-8H,3H2,1-2H3,(H,14,15);2-4H2,1H3;1H.
What are the key properties of [2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride?
[2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride has a molecular weight of 341.91 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride is sourced from PubChem (CID 142276499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).