N-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide

C17H21FN4O3S — CID 70781595

IUPACN-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide
SMILESCCCCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C17H21FN4O3S/c1-2-3-4-14(23)19-8-12-7-11(18)10-22(12)16(25)13-9-20-17-21(15(13)24)5-6-26-17/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,19,23)/t11-,12-/m0/s1
InChIKeyQBFSYJVQGJRCFM-RYUDHWBXSA-N
MW380.45 g/mol
LogP1.62
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide

N-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide (PubChem CID 70781595) has the molecular formula C17H21FN4O3S and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide
PubChem CID70781595
Molecular FormulaC17H21FN4O3S
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide
SMILESCCCCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C17H21FN4O3S/c1-2-3-4-14(23)19-8-12-7-11(18)10-22(12)16(25)13-9-20-17-21(15(13)24)5-6-26-17/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,19,23)/t11-,12-/m0/s1
InChIKeyQBFSYJVQGJRCFM-RYUDHWBXSA-N
XLogP1.62
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide (CID 70781595) is N-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide is CCCCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide?
The InChIKey is QBFSYJVQGJRCFM-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H21FN4O3S/c1-2-3-4-14(23)19-8-12-7-11(18)10-22(12)16(25)13-9-20-17-21(15(13)24)5-6-26-17/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,19,23)/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide?
N-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide has a molecular weight of 380.45 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]pentanamide is sourced from PubChem (CID 70781595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).