2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

C19H25ClN4O3S — CID 120622062

IUPAC2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(NC(=O)c1csc(CCN)n1)c1ccc(OCC(=O)NC2CC2)cc1.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-12(21-19(25)16-11-27-18(23-16)8-9-20)13-2-6-15(7-3-13)26-10-17(24)22-14-4-5-14;/h2-3,6-7,11-12,14H,4-5,8-10,20H2,1H3,(H,21,25)(H,22,24);1H
InChIKeyCJONBCMEGRLGFW-UHFFFAOYSA-N
MW424.95 g/mol
LogP2.21
Rot. Bonds9

About 2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120622062) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120622062
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC Name2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(NC(=O)c1csc(CCN)n1)c1ccc(OCC(=O)NC2CC2)cc1.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-12(21-19(25)16-11-27-18(23-16)8-9-20)13-2-6-15(7-3-13)26-10-17(24)22-14-4-5-14;/h2-3,6-7,11-12,14H,4-5,8-10,20H2,1H3,(H,21,25)(H,22,24);1H
InChIKeyCJONBCMEGRLGFW-UHFFFAOYSA-N
XLogP2.21
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

2-(aminomethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 119720936
2-(2-aminoethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81368658
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
(2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride
CID 119288036
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120620294
2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621658
2-(2-aminoethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621962
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
2-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81363190
5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide
CID 120622061
2-(2-aminoethyl)-N-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623855
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 48579146

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120622062) is 2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is CC(NC(=O)c1csc(CCN)n1)c1ccc(OCC(=O)NC2CC2)cc1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is CJONBCMEGRLGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S.ClH/c1-12(21-19(25)16-11-27-18(23-16)8-9-20)13-2-6-15(7-3-13)26-10-17(24)22-14-4-5-14;/h2-3,6-7,11-12,14H,4-5,8-10,20H2,1H3,(H,21,25)(H,22,24);1H.
What are the key properties of 2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 424.95 g/mol, XLogP of 2.21, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120622062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).