2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C18H23Cl2N5O2S — CID 120640698

IUPAC2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCOc1ccc(C(NC(=O)c2csc(CCN)n2)c2nccn2C)cc1.Cl.Cl
InChIInChI=1S/C18H21N5O2S.2ClH/c1-23-10-9-20-17(23)16(12-3-5-13(25-2)6-4-12)22-18(24)14-11-26-15(21-14)7-8-19;;/h3-6,9-11,16H,7-8,19H2,1-2H3,(H,22,24);2*1H
InChIKeyRBEPCLFOHNBGRW-UHFFFAOYSA-N
MW444.39 g/mol
LogP2.75
Rot. Bonds7

About 2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120640698) has the molecular formula C18H23Cl2N5O2S and a molecular weight of 444.39 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120640698
Molecular FormulaC18H23Cl2N5O2S
Molecular Weight444.39 g/mol
Exact Mass443.09
IUPAC Name2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCOc1ccc(C(NC(=O)c2csc(CCN)n2)c2nccn2C)cc1.Cl.Cl
InChIInChI=1S/C18H21N5O2S.2ClH/c1-23-10-9-20-17(23)16(12-3-5-13(25-2)6-4-12)22-18(24)14-11-26-15(21-14)7-8-19;;/h3-6,9-11,16H,7-8,19H2,1-2H3,(H,22,24);2*1H
InChIKeyRBEPCLFOHNBGRW-UHFFFAOYSA-N
XLogP2.75
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-aminoethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81368658
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CID 46528475
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390133
2-(methylamino)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
CID 77084721
5-ethyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylthiophene-2-carboxamide
CID 25389100
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
1-[(2R)-2-hydroxypropyl]-3-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 94027654
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 25350399
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618811

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120640698) is 2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is COc1ccc(C(NC(=O)c2csc(CCN)n2)c2nccn2C)cc1.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is RBEPCLFOHNBGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S.2ClH/c1-23-10-9-20-17(23)16(12-3-5-13(25-2)6-4-12)22-18(24)14-11-26-15(21-14)7-8-19;;/h3-6,9-11,16H,7-8,19H2,1-2H3,(H,22,24);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 444.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120640698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).