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

C14H19N3OS2 — CID 66390401

IUPAC2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(C)NC(=O)c2csc(C(C)N)n2)c(C)s1
InChIInChI=1S/C14H19N3OS2/c1-7-5-11(10(4)20-7)9(3)16-13(18)12-6-19-14(17-12)8(2)15/h5-6,8-9H,15H2,1-4H3,(H,16,18)
InChIKeyGOMNXENDQWQFBE-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.33
Rot. Bonds4

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

2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 66390401) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID66390401
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC Name2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(C)NC(=O)c2csc(C(C)N)n2)c(C)s1
InChIInChI=1S/C14H19N3OS2/c1-7-5-11(10(4)20-7)9(3)16-13(18)12-6-19-14(17-12)8(2)15/h5-6,8-9H,15H2,1-4H3,(H,16,18)
InChIKeyGOMNXENDQWQFBE-UHFFFAOYSA-N
XLogP3.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81377841
2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720895
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
CID 62239163
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81349122
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66375369
2-[(1S)-1-[[2-[(1S)-1-[[2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720233
2-(1-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 114158941
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 86986105
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 66390401) is 2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1cc(C(C)NC(=O)c2csc(C(C)N)n2)c(C)s1.
What is the InChIKey of 2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GOMNXENDQWQFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-7-5-11(10(4)20-7)9(3)16-13(18)12-6-19-14(17-12)8(2)15/h5-6,8-9H,15H2,1-4H3,(H,16,18).
What are the key properties of 2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 309.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66390401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).