2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C19H29Cl2N5O2S — CID 120639449

IUPAC2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2csc(CCN)n2)cc1.Cl.Cl
InChIInChI=1S/C19H27N5O2S.2ClH/c1-3-24(4-2)12-11-21-18(25)14-5-7-15(8-6-14)22-19(26)16-13-27-17(23-16)9-10-20;;/h5-8,13H,3-4,9-12,20H2,1-2H3,(H,21,25)(H,22,26);2*1H
InChIKeyWGKDQKYQNMLJRJ-UHFFFAOYSA-N
MW462.45 g/mol
LogP2.81
Rot. Bonds10

About 2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120639449) has the molecular formula C19H29Cl2N5O2S and a molecular weight of 462.45 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120639449
Molecular FormulaC19H29Cl2N5O2S
Molecular Weight462.45 g/mol
Exact Mass461.14
IUPAC Name2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2csc(CCN)n2)cc1.Cl.Cl
InChIInChI=1S/C19H27N5O2S.2ClH/c1-3-24(4-2)12-11-21-18(25)14-5-7-15(8-6-14)22-19(26)16-13-27-17(23-16)9-10-20;;/h5-8,13H,3-4,9-12,20H2,1-2H3,(H,21,25)(H,22,26);2*1H
InChIKeyWGKDQKYQNMLJRJ-UHFFFAOYSA-N
XLogP2.81
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639262
2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120617738
2-(2-aminoethyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624690
2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120646535
2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621811
2-(2-aminoethyl)-N-[[4-(butylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623733
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825
2-(2-aminoethyl)-N-[4-(azepane-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624449
2-(aminomethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66377436
2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640026
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120639449) is 2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CCN(CC)CCNC(=O)c1ccc(NC(=O)c2csc(CCN)n2)cc1.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is WGKDQKYQNMLJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S.2ClH/c1-3-24(4-2)12-11-21-18(25)14-5-7-15(8-6-14)22-19(26)16-13-27-17(23-16)9-10-20;;/h5-8,13H,3-4,9-12,20H2,1-2H3,(H,21,25)(H,22,26);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 462.45 g/mol, XLogP of 2.81, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120639449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).