2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride

C16H19BrClN3OS — CID 120635450

IUPAC2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)NCC2(c3ccccc3Br)CC2)cs1
InChIInChI=1S/C16H18BrN3OS.ClH/c17-12-4-2-1-3-11(12)16(6-7-16)10-19-15(21)13-9-22-14(20-13)5-8-18;/h1-4,9H,5-8,10,18H2,(H,19,21);1H
InChIKeyGIEJTQNSVDIQLE-UHFFFAOYSA-N
MW416.77 g/mol
LogP3.29
Rot. Bonds6

About 2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120635450) has the molecular formula C16H19BrClN3OS and a molecular weight of 416.77 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120635450
Molecular FormulaC16H19BrClN3OS
Molecular Weight416.77 g/mol
Exact Mass415.01
IUPAC Name2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)NCC2(c3ccccc3Br)CC2)cs1
InChIInChI=1S/C16H18BrN3OS.ClH/c17-12-4-2-1-3-11(12)16(6-7-16)10-19-15(21)13-9-22-14(20-13)5-8-18;/h1-4,9H,5-8,10,18H2,(H,19,21);1H
InChIKeyGIEJTQNSVDIQLE-UHFFFAOYSA-N
XLogP3.29
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.77
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide
CID 120639023
2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646720
2-(2-aminoethyl)-N-(1-phenylcyclopentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633064
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119747066
2-(aminomethyl)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide
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N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
2-(2-aminoethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 114143528
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2-bromophenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120635450) is 2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCc1nc(C(=O)NCC2(c3ccccc3Br)CC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is GIEJTQNSVDIQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3OS.ClH/c17-12-4-2-1-3-11(12)16(6-7-16)10-19-15(21)13-9-22-14(20-13)5-8-18;/h1-4,9H,5-8,10,18H2,(H,19,21);1H.
What are the key properties of 2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 416.77 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120635450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).