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

C15H21Cl2N3OS — CID 119882678

IUPAC2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride
SMILESCc1nc(C)c(CCNC(=O)Cc2ccc(N)cc2)s1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-10-14(20-11(2)18-10)7-8-17-15(19)9-12-3-5-13(16)6-4-12;;/h3-6H,7-9,16H2,1-2H3,(H,17,19);2*1H
InChIKeyHBKVYYWHWKFPRO-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.09
Rot. Bonds5

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

2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride (PubChem CID 119882678) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride
PubChem CID119882678
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride
SMILESCc1nc(C)c(CCNC(=O)Cc2ccc(N)cc2)s1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-10-14(20-11(2)18-10)7-8-17-15(19)9-12-3-5-13(16)6-4-12;;/h3-6H,7-9,16H2,1-2H3,(H,17,19);2*1H
InChIKeyHBKVYYWHWKFPRO-UHFFFAOYSA-N
XLogP3.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119891738
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride
CID 120613101
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 120613102
3-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide;dihydrochloride
CID 119882710
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704422
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]pentanamide
CID 110395064
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide
CID 7222725
2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 119778984
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzamide
CID 7222729
2-(4-aminophenyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119895978
3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395079

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride (CID 119882678) is 2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride is Cc1nc(C)c(CCNC(=O)Cc2ccc(N)cc2)s1.Cl.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride?
The InChIKey is HBKVYYWHWKFPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-10-14(20-11(2)18-10)7-8-17-15(19)9-12-3-5-13(16)6-4-12;;/h3-6H,7-9,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride?
2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119882678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).