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

C14H24N4O2S — CID 103381790

IUPACethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N1CCC(N(CC)CC)C1
InChIInChI=1S/C14H24N4O2S/c1-4-17(5-2)10-7-8-18(9-10)13-11(12(15)16-21-13)14(19)20-6-3/h10H,4-9H2,1-3H3,(H2,15,16)
InChIKeyPIVWJHHSHRPKNQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.82
Rot. Bonds6

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

ethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate (PubChem CID 103381790) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is ethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate
PubChem CID103381790
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Nameethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N1CCC(N(CC)CC)C1
InChIInChI=1S/C14H24N4O2S/c1-4-17(5-2)10-7-8-18(9-10)13-11(12(15)16-21-13)14(19)20-6-3/h10H,4-9H2,1-3H3,(H2,15,16)
InChIKeyPIVWJHHSHRPKNQ-UHFFFAOYSA-N
XLogP1.82
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate (CID 103381790) is ethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1N1CCC(N(CC)CC)C1.
What is the InChIKey of ethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate?
The InChIKey is PIVWJHHSHRPKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-17(5-2)10-7-8-18(9-10)13-11(12(15)16-21-13)14(19)20-6-3/h10H,4-9H2,1-3H3,(H2,15,16).
What are the key properties of ethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103381790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).