ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate

C11H18N4O2S — CID 103383769

IUPACethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NN1CCCCC1
InChIInChI=1S/C11H18N4O2S/c1-2-17-11(16)8-9(12)14-18-10(8)13-15-6-4-3-5-7-15/h13H,2-7H2,1H3,(H2,12,14)
InChIKeyOKDQXKVWZQJPKM-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.71
Rot. Bonds4

About ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate (PubChem CID 103383769) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate
PubChem CID103383769
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Nameethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NN1CCCCC1
InChIInChI=1S/C11H18N4O2S/c1-2-17-11(16)8-9(12)14-18-10(8)13-15-6-4-3-5-7-15/h13H,2-7H2,1H3,(H2,12,14)
InChIKeyOKDQXKVWZQJPKM-UHFFFAOYSA-N
XLogP1.71
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-amino-5-[2-(azepan-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103378467
ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate
CID 14171364
4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
CID 103364864
ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate
CID 103384165
ethyl 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103379244
ethyl 3-amino-5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 107165741
4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
CID 103383775
ethyl 3-amino-5-[(4-ethylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103384498
ethyl 3-amino-5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103383657
ethyl 3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383011
ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate
CID 106015648
ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383041

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate (CID 103383769) is ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1NN1CCCCC1.
What is the InChIKey of ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is OKDQXKVWZQJPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-2-17-11(16)8-9(12)14-18-10(8)13-15-6-4-3-5-7-15/h13H,2-7H2,1H3,(H2,12,14).
What are the key properties of ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 270.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103383769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).