2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride

C20H30ClN3OS — CID 120630650

IUPAC2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCCC(Cc1ccccc1)N(CCC)C(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C20H29N3OS.ClH/c1-3-8-17(14-16-9-6-5-7-10-16)23(13-4-2)20(24)18-15-25-19(22-18)11-12-21;/h5-7,9-10,15,17H,3-4,8,11-14,21H2,1-2H3;1H
InChIKeyIFTDBSOUCFJOIE-UHFFFAOYSA-N
MW396.00 g/mol
LogP4.33
Rot. Bonds10

About 2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120630650) has the molecular formula C20H30ClN3OS and a molecular weight of 396.00 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120630650
Molecular FormulaC20H30ClN3OS
Molecular Weight396.00 g/mol
Exact Mass395.18
IUPAC Name2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCCC(Cc1ccccc1)N(CCC)C(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C20H29N3OS.ClH/c1-3-8-17(14-16-9-6-5-7-10-16)23(13-4-2)20(24)18-15-25-19(22-18)11-12-21;/h5-7,9-10,15,17H,3-4,8,11-14,21H2,1-2H3;1H
InChIKeyIFTDBSOUCFJOIE-UHFFFAOYSA-N
XLogP4.33
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.00
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride
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2-(aminomethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride (CID 120630650) is 2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride is CCCC(Cc1ccccc1)N(CCC)C(=O)c1csc(CCN)n1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is IFTDBSOUCFJOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS.ClH/c1-3-8-17(14-16-9-6-5-7-10-16)23(13-4-2)20(24)18-15-25-19(22-18)11-12-21;/h5-7,9-10,15,17H,3-4,8,11-14,21H2,1-2H3;1H.
What are the key properties of 2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 396.00 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120630650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).