2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide

C15H28N4OS — CID 66373417

IUPAC2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1csc(CCN)n1
InChIInChI=1S/C15H28N4OS/c1-4-19(5-2)10-6-7-12(3)17-15(20)13-11-21-14(18-13)8-9-16/h11-12H,4-10,16H2,1-3H3,(H,17,20)
InChIKeyLJQXXVVKNKHHOF-UHFFFAOYSA-N
MW312.48 g/mol
LogP1.88
Rot. Bonds10

About 2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 66373417) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID66373417
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1csc(CCN)n1
InChIInChI=1S/C15H28N4OS/c1-4-19(5-2)10-6-7-12(3)17-15(20)13-11-21-14(18-13)8-9-16/h11-12H,4-10,16H2,1-3H3,(H,17,20)
InChIKeyLJQXXVVKNKHHOF-UHFFFAOYSA-N
XLogP1.88
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 120633185
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
CID 120639262
2-(2-aminoethyl)-N-(2-methylpentan-3-yl)-1,3-thiazole-4-carboxamide
CID 66389532
2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 3940290
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-hydroxybutanoic acid
CID 66391042
(2S)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 107147041
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 66389123
2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120632758
N-[5-(diethylamino)pentan-2-yl]-2-[[(2,6-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide
CID 4208168
methyl (2R)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate;hydrochloride
CID 120632197

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide (CID 66373417) is 2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide is CCN(CC)CCCC(C)NC(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is LJQXXVVKNKHHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-4-19(5-2)10-6-7-12(3)17-15(20)13-11-21-14(18-13)8-9-16/h11-12H,4-10,16H2,1-3H3,(H,17,20).
What are the key properties of 2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 312.48 g/mol, XLogP of 1.88, 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-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66373417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).