methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate

C14H23N3O2S — CID 103383179

IUPACmethyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate
SMILESCCC1CCC(CNc2snc(N)c2C(=O)OC)CC1
InChIInChI=1S/C14H23N3O2S/c1-3-9-4-6-10(7-5-9)8-16-13-11(14(18)19-2)12(15)17-20-13/h9-10,16H,3-8H2,1-2H3,(H2,15,17)
InChIKeyOFQWHUYIBXXLDY-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.14
Rot. Bonds5

About methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate

methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate (PubChem CID 103383179) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate
PubChem CID103383179
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Namemethyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate
SMILESCCC1CCC(CNc2snc(N)c2C(=O)OC)CC1
InChIInChI=1S/C14H23N3O2S/c1-3-9-4-6-10(7-5-9)8-16-13-11(14(18)19-2)12(15)17-20-13/h9-10,16H,3-8H2,1-2H3,(H2,15,17)
InChIKeyOFQWHUYIBXXLDY-UHFFFAOYSA-N
XLogP3.14
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-(2-cyclohexylethylamino)-1,2-thiazole-4-carboxylate
CID 103383128
ethyl 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103379244
ethyl 3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383011
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375895
3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382836
3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103379243
ethyl 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carboxylate
CID 103384598
ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383041
methyl 3-amino-5-(octylamino)-1,2-thiazole-4-carboxylate
CID 103383798
3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile
CID 103383180
methyl 3-amino-5-(2,2-difluoroethylamino)-1,2-thiazole-4-carboxylate
CID 103383670

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate (CID 103383179) is methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate is CCC1CCC(CNc2snc(N)c2C(=O)OC)CC1.
What is the InChIKey of methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate?
The InChIKey is OFQWHUYIBXXLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-9-4-6-10(7-5-9)8-16-13-11(14(18)19-2)12(15)17-20-13/h9-10,16H,3-8H2,1-2H3,(H2,15,17).
What are the key properties of methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103383179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).