3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide

C8H14N4O2S — CID 103379626

IUPAC3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCN(CCO)c1snc(N)c1C(N)=O
InChIInChI=1S/C8H14N4O2S/c1-2-12(3-4-13)8-5(7(10)14)6(9)11-15-8/h13H,2-4H2,1H3,(H2,9,11)(H2,10,14)
InChIKeyYPUWERIZFWRBKK-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.36
Rot. Bonds5

About 3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide

3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103379626) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103379626
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCN(CCO)c1snc(N)c1C(N)=O
InChIInChI=1S/C8H14N4O2S/c1-2-12(3-4-13)8-5(7(10)14)6(9)11-15-8/h13H,2-4H2,1H3,(H2,9,11)(H2,10,14)
InChIKeyYPUWERIZFWRBKK-UHFFFAOYSA-N
XLogP-0.36
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
CID 103381988
3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103360630
3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide
CID 103384359
ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate
CID 103384853
3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381391
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380467
3-amino-5-(diethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381087
2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
CID 103360672
ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103383257
3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide
CID 103384433
3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
CID 103381914
3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide
CID 103381354

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide (CID 103379626) is 3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide is CCN(CCO)c1snc(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is YPUWERIZFWRBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-2-12(3-4-13)8-5(7(10)14)6(9)11-15-8/h13H,2-4H2,1H3,(H2,9,11)(H2,10,14).
What are the key properties of 3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 230.29 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).