(2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide

C14H19N5O2S — CID 56723384

IUPAC(2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1c(C)nc2sccn12
InChIInChI=1S/C14H19N5O2S/c1-3-16-12(20)10-6-9(15)7-19(10)13(21)11-8(2)17-14-18(11)4-5-22-14/h4-5,9-10H,3,6-7,15H2,1-2H3,(H,16,20)/t9-,10-/m0/s1
InChIKeyLVQPSORLCLQXDV-UWVGGRQHSA-N
MW321.41 g/mol
LogP0.38
Rot. Bonds3

About (2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56723384) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56723384
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name(2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1c(C)nc2sccn12
InChIInChI=1S/C14H19N5O2S/c1-3-16-12(20)10-6-9(15)7-19(10)13(21)11-8(2)17-14-18(11)4-5-22-14/h4-5,9-10H,3,6-7,15H2,1-2H3,(H,16,20)/t9-,10-/m0/s1
InChIKeyLVQPSORLCLQXDV-UWVGGRQHSA-N
XLogP0.38
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide (CID 56723384) is (2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1c(C)nc2sccn12.
What is the InChIKey of (2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is LVQPSORLCLQXDV-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-3-16-12(20)10-6-9(15)7-19(10)13(21)11-8(2)17-14-18(11)4-5-22-14/h4-5,9-10H,3,6-7,15H2,1-2H3,(H,16,20)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-ethyl-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56723384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).