N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

C13H19FN4O2S — CID 128987801

IUPACN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1CC(N)=O
InChIInChI=1S/C13H19FN4O2S/c1-8-12(21-7-16-8)13(20)17(2)5-10-3-9(14)4-18(10)6-11(15)19/h7,9-10H,3-6H2,1-2H3,(H2,15,19)/t9-,10-/m0/s1
InChIKeyIAWXJPDDXHXRQT-UWVGGRQHSA-N
MW314.39 g/mol
LogP0.42
Rot. Bonds5

About N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 128987801) has the molecular formula C13H19FN4O2S and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID128987801
Molecular FormulaC13H19FN4O2S
Molecular Weight314.39 g/mol
Exact Mass314.12
IUPAC NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1CC(N)=O
InChIInChI=1S/C13H19FN4O2S/c1-8-12(21-7-16-8)13(20)17(2)5-10-3-9(14)4-18(10)6-11(15)19/h7,9-10H,3-6H2,1-2H3,(H2,15,19)/t9-,10-/m0/s1
InChIKeyIAWXJPDDXHXRQT-UWVGGRQHSA-N
XLogP0.42
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 128987801) is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1CC(N)=O.
What is the InChIKey of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is IAWXJPDDXHXRQT-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H19FN4O2S/c1-8-12(21-7-16-8)13(20)17(2)5-10-3-9(14)4-18(10)6-11(15)19/h7,9-10H,3-6H2,1-2H3,(H2,15,19)/t9-,10-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 128987801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).