ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate

C15H25N3O2S — CID 103381310

IUPACethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NCCC1CCCC(C)C1
InChIInChI=1S/C15H25N3O2S/c1-3-20-15(19)12-13(16)18-21-14(12)17-8-7-11-6-4-5-10(2)9-11/h10-11,17H,3-9H2,1-2H3,(H2,16,18)
InChIKeyYYLUEJICRFTFJL-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.53
Rot. Bonds6

About ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate (PubChem CID 103381310) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate
PubChem CID103381310
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nameethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NCCC1CCCC(C)C1
InChIInChI=1S/C15H25N3O2S/c1-3-20-15(19)12-13(16)18-21-14(12)17-8-7-11-6-4-5-10(2)9-11/h10-11,17H,3-9H2,1-2H3,(H2,16,18)
InChIKeyYYLUEJICRFTFJL-UHFFFAOYSA-N
XLogP3.53
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate
CID 106015648
methyl 3-amino-5-(2-cyclohexylethylamino)-1,2-thiazole-4-carboxylate
CID 103383128
ethyl 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carboxylate
CID 103384598
3-amino-5-(2-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate
CID 14171364
ethyl 3-amino-5-[2-(azepan-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103378467
ethyl 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103379244
ethyl 3-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 106174609
ethyl 3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383011
methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383179
ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383041
ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate
CID 103383522

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate (CID 103381310) is ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1NCCC1CCCC(C)C1.
What is the InChIKey of ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate?
The InChIKey is YYLUEJICRFTFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-20-15(19)12-13(16)18-21-14(12)17-8-7-11-6-4-5-10(2)9-11/h10-11,17H,3-9H2,1-2H3,(H2,16,18).
What are the key properties of ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103381310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).