2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride

C17H29ClN4O2S — CID 120624922

IUPAC2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1(NC(=O)c2csc(CCN)n2)CCCCC1.Cl
InChIInChI=1S/C17H28N4O2S.ClH/c1-3-21(4-2)16(23)17(9-6-5-7-10-17)20-15(22)13-12-24-14(19-13)8-11-18;/h12H,3-11,18H2,1-2H3,(H,20,22);1H
InChIKeyNBIQSBKUFTYUJD-UHFFFAOYSA-N
MW388.97 g/mol
LogP2.37
Rot. Bonds7

About 2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120624922) has the molecular formula C17H29ClN4O2S and a molecular weight of 388.97 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120624922
Molecular FormulaC17H29ClN4O2S
Molecular Weight388.97 g/mol
Exact Mass388.17
IUPAC Name2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1(NC(=O)c2csc(CCN)n2)CCCCC1.Cl
InChIInChI=1S/C17H28N4O2S.ClH/c1-3-21(4-2)16(23)17(9-6-5-7-10-17)20-15(22)13-12-24-14(19-13)8-11-18;/h12H,3-11,18H2,1-2H3,(H,20,22);1H
InChIKeyNBIQSBKUFTYUJD-UHFFFAOYSA-N
XLogP2.37
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.97
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 66377481
2-(aminomethyl)-N-[1-(propylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119767199
2-(2-aminoethyl)-N-(1-phenylcyclopentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633064
2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647122
2-(2-aminoethyl)-N-[(1-propoxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638669
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639262
2-(2-aminoethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638800
N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66373028
1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
CID 119300648
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623914
2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120639022

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120624922) is 2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride is CCN(CC)C(=O)C1(NC(=O)c2csc(CCN)n2)CCCCC1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is NBIQSBKUFTYUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S.ClH/c1-3-21(4-2)16(23)17(9-6-5-7-10-17)20-15(22)13-12-24-14(19-13)8-11-18;/h12H,3-11,18H2,1-2H3,(H,20,22);1H.
What are the key properties of 2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 388.97 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120624922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).