2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C16H32Cl2N4OS — CID 120641176

IUPAC2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)c1csc(CCN)n1)CC(C)C.Cl.Cl
InChIInChI=1S/C16H30N4OS.2ClH/c1-5-20(6-2)13(9-12(3)4)10-18-16(21)14-11-22-15(19-14)7-8-17;;/h11-13H,5-10,17H2,1-4H3,(H,18,21);2*1H
InChIKeyBBWUQIZYHYLHHP-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.97
Rot. Bonds10

About 2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120641176) has the molecular formula C16H32Cl2N4OS and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120641176
Molecular FormulaC16H32Cl2N4OS
Molecular Weight399.43 g/mol
Exact Mass398.17
IUPAC Name2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)c1csc(CCN)n1)CC(C)C.Cl.Cl
InChIInChI=1S/C16H30N4OS.2ClH/c1-5-20(6-2)13(9-12(3)4)10-18-16(21)14-11-22-15(19-14)7-8-17;;/h11-13H,5-10,17H2,1-4H3,(H,18,21);2*1H
InChIKeyBBWUQIZYHYLHHP-UHFFFAOYSA-N
XLogP2.97
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[2-(dimethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 66388743
2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66390920
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630215
4-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 81073673
2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639262
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618225
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-[[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107475581
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-(2-piperidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66390454
2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 66388619

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120641176) is 2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CCN(CC)C(CNC(=O)c1csc(CCN)n1)CC(C)C.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is BBWUQIZYHYLHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4OS.2ClH/c1-5-20(6-2)13(9-12(3)4)10-18-16(21)14-11-22-15(19-14)7-8-17;;/h11-13H,5-10,17H2,1-4H3,(H,18,21);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 399.43 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120641176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).