ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate

C14H22N4O2S — CID 103383041

IUPACethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NCC1CCN(C2CC2)C1
InChIInChI=1S/C14H22N4O2S/c1-2-20-14(19)11-12(15)17-21-13(11)16-7-9-5-6-18(8-9)10-3-4-10/h9-10,16H,2-8H2,1H3,(H2,15,17)
InChIKeyWKWSEWGYJFMXRE-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.80
Rot. Bonds6

About ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate (PubChem CID 103383041) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
PubChem CID103383041
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Nameethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NCC1CCN(C2CC2)C1
InChIInChI=1S/C14H22N4O2S/c1-2-20-14(19)11-12(15)17-21-13(11)16-7-9-5-6-18(8-9)10-3-4-10/h9-10,16H,2-8H2,1H3,(H2,15,17)
InChIKeyWKWSEWGYJFMXRE-UHFFFAOYSA-N
XLogP1.80
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383011
ethyl 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103379244
ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375895
ethyl 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carboxylate
CID 103384598
ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate
CID 14171364
ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate
CID 106015648
methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383179
3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103379243
ethyl 3-amino-5-[(4-ethylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103384498
ethyl 3-amino-5-[2-(azepan-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103378467
ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate
CID 103384165
3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379241

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate (CID 103383041) is ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1NCC1CCN(C2CC2)C1.
What is the InChIKey of ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate?
The InChIKey is WKWSEWGYJFMXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-2-20-14(19)11-12(15)17-21-13(11)16-7-9-5-6-18(8-9)10-3-4-10/h9-10,16H,2-8H2,1H3,(H2,15,17).
What are the key properties of ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103383041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).