2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide

C11H14N4OS2 — CID 122567185

IUPAC2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCc1nc(CCNC(=O)c2csc(N)n2)cs1
InChIInChI=1S/C11H14N4OS2/c1-2-9-14-7(5-17-9)3-4-13-10(16)8-6-18-11(12)15-8/h5-6H,2-4H2,1H3,(H2,12,15)(H,13,16)
InChIKeyQKDLKPRNRLFLMO-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.72
Rot. Bonds5

About 2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide

2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 122567185) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID122567185
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC Name2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCc1nc(CCNC(=O)c2csc(N)n2)cs1
InChIInChI=1S/C11H14N4OS2/c1-2-9-14-7(5-17-9)3-4-13-10(16)8-6-18-11(12)15-8/h5-6H,2-4H2,1H3,(H2,12,15)(H,13,16)
InChIKeyQKDLKPRNRLFLMO-UHFFFAOYSA-N
XLogP1.72
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119869551
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119869550
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
methyl 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]propanoate
CID 62787060
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
2-amino-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-4-carboxamide
CID 62788374
2-amino-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62788957
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 122558978
2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 62788887

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 122567185) is 2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is CCc1nc(CCNC(=O)c2csc(N)n2)cs1.
What is the InChIKey of 2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QKDLKPRNRLFLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-2-9-14-7(5-17-9)3-4-13-10(16)8-6-18-11(12)15-8/h5-6H,2-4H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122567185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).