2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide

C12H21N3OS — CID 66390920

IUPAC2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)C(C)CNC(=O)c1csc(CCN)n1
InChIInChI=1S/C12H21N3OS/c1-8(2)9(3)6-14-12(16)10-7-17-11(15-10)4-5-13/h7-9H,4-6,13H2,1-3H3,(H,14,16)
InChIKeyXNTUDOISSFGGHY-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.67
Rot. Bonds6

About 2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide (PubChem CID 66390920) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
PubChem CID66390920
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)C(C)CNC(=O)c1csc(CCN)n1
InChIInChI=1S/C12H21N3OS/c1-8(2)9(3)6-14-12(16)10-7-17-11(15-10)4-5-13/h7-9H,4-6,13H2,1-3H3,(H,14,16)
InChIKeyXNTUDOISSFGGHY-UHFFFAOYSA-N
XLogP1.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
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-(dimethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 66388743
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-(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
2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636237
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-[2-(diethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120641176
2-(2-aminoethyl)-N-(2-methylpentan-3-yl)-1,3-thiazole-4-carboxamide
CID 66389532

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide (CID 66390920) is 2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide is CC(C)C(C)CNC(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XNTUDOISSFGGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8(2)9(3)6-14-12(16)10-7-17-11(15-10)4-5-13/h7-9H,4-6,13H2,1-3H3,(H,14,16).
What are the key properties of 2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 255.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66390920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).