3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride

C16H23Cl2N3OS — CID 120613101

IUPAC3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride
SMILESCc1nc(C)c(CCNC(=O)CCc2ccccc2N)s1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-11-15(21-12(2)19-11)9-10-18-16(20)8-7-13-5-3-4-6-14(13)17;;/h3-6H,7-10,17H2,1-2H3,(H,18,20);2*1H
InChIKeyFAKYWTYQNQTBMY-UHFFFAOYSA-N
MW376.35 g/mol
LogP3.48
Rot. Bonds6

About 3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride

3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride (PubChem CID 120613101) has the molecular formula C16H23Cl2N3OS and a molecular weight of 376.35 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride
PubChem CID120613101
Molecular FormulaC16H23Cl2N3OS
Molecular Weight376.35 g/mol
Exact Mass375.09
IUPAC Name3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride
SMILESCc1nc(C)c(CCNC(=O)CCc2ccccc2N)s1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-11-15(21-12(2)19-11)9-10-18-16(20)8-7-13-5-3-4-6-14(13)17;;/h3-6H,7-10,17H2,1-2H3,(H,18,20);2*1H
InChIKeyFAKYWTYQNQTBMY-UHFFFAOYSA-N
XLogP3.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 120613102
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2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119947163
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide
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N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 107329579
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
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N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentanamide
CID 110395064
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide
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N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704422
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride (CID 120613101) is 3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride is Cc1nc(C)c(CCNC(=O)CCc2ccccc2N)s1.Cl.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride?
The InChIKey is FAKYWTYQNQTBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS.2ClH/c1-11-15(21-12(2)19-11)9-10-18-16(20)8-7-13-5-3-4-6-14(13)17;;/h3-6H,7-10,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride?
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride has a molecular weight of 376.35 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 120613101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).