N-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride

C17H25Cl2N3OS — CID 119438459

IUPACN-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCNCc1cccc(NC(=O)c2csc(CC(C)C)n2)c1.Cl.Cl
InChIInChI=1S/C17H23N3OS.2ClH/c1-4-18-10-13-6-5-7-14(9-13)19-17(21)15-11-22-16(20-15)8-12(2)3;;/h5-7,9,11-12,18H,4,8,10H2,1-3H3,(H,19,21);2*1H
InChIKeyDJTWBBTZNWCKDJ-UHFFFAOYSA-N
MW390.38 g/mol
LogP4.55
Rot. Bonds7

About N-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride

N-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119438459) has the molecular formula C17H25Cl2N3OS and a molecular weight of 390.38 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119438459
Molecular FormulaC17H25Cl2N3OS
Molecular Weight390.38 g/mol
Exact Mass389.11
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCNCc1cccc(NC(=O)c2csc(CC(C)C)n2)c1.Cl.Cl
InChIInChI=1S/C17H23N3OS.2ClH/c1-4-18-10-13-6-5-7-14(9-13)19-17(21)15-11-22-16(20-15)8-12(2)3;;/h5-7,9,11-12,18H,4,8,10H2,1-3H3,(H,19,21);2*1H
InChIKeyDJTWBBTZNWCKDJ-UHFFFAOYSA-N
XLogP4.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119745463
2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 3801274
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
N-[(3-acetamidophenyl)methyl]-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120620223
2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 3734938
2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119714907
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622317
N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 119438262
(2S)-2-[[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366724
N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 43601238
2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 66377258

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119438459) is N-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride is CCNCc1cccc(NC(=O)c2csc(CC(C)C)n2)c1.Cl.Cl.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is DJTWBBTZNWCKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS.2ClH/c1-4-18-10-13-6-5-7-14(9-13)19-17(21)15-11-22-16(20-15)8-12(2)3;;/h5-7,9,11-12,18H,4,8,10H2,1-3H3,(H,19,21);2*1H.
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
N-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 390.38 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119438459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).