2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride

C16H30ClN3OS — CID 120626179

IUPAC2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCCCCN(C(=O)c1csc(CCN)n1)C(C)CCC.Cl
InChIInChI=1S/C16H29N3OS.ClH/c1-4-6-7-11-19(13(3)8-5-2)16(20)14-12-21-15(18-14)9-10-17;/h12-13H,4-11,17H2,1-3H3;1H
InChIKeyYJTJAHNQHFSYHP-UHFFFAOYSA-N
MW347.96 g/mol
LogP3.89
Rot. Bonds10

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

2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120626179) has the molecular formula C16H30ClN3OS and a molecular weight of 347.96 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120626179
Molecular FormulaC16H30ClN3OS
Molecular Weight347.96 g/mol
Exact Mass347.18
IUPAC Name2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCCCCN(C(=O)c1csc(CCN)n1)C(C)CCC.Cl
InChIInChI=1S/C16H29N3OS.ClH/c1-4-6-7-11-19(13(3)8-5-2)16(20)14-12-21-15(18-14)9-10-17;/h12-13H,4-11,17H2,1-3H3;1H
InChIKeyYJTJAHNQHFSYHP-UHFFFAOYSA-N
XLogP3.89
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.96
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 120630650
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CID 120618164
2-(2-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 66390439
2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616809
2-(aminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119672604
2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 66373417
2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
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(2S)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 107147041
2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 106047628
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 66389123
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride (CID 120626179) is 2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride is CCCCCN(C(=O)c1csc(CCN)n1)C(C)CCC.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is YJTJAHNQHFSYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS.ClH/c1-4-6-7-11-19(13(3)8-5-2)16(20)14-12-21-15(18-14)9-10-17;/h12-13H,4-11,17H2,1-3H3;1H.
What are the key properties of 2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 347.96 g/mol, XLogP of 3.89, 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-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120626179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).