N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide

C15H20FN5OS — CID 128974627

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1ccnn1C
InChIInChI=1S/C15H20FN5OS/c1-10-14(9-23-19-10)15(22)17-6-13-5-11(16)7-21(13)8-12-3-4-18-20(12)2/h3-4,9,11,13H,5-8H2,1-2H3,(H,17,22)/t11-,13-/m0/s1
InChIKeyXOCNMAQTHMMYLC-AAEUAGOBSA-N
MW337.42 g/mol
LogP1.53
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide

N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 128974627) has the molecular formula C15H20FN5OS and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID128974627
Molecular FormulaC15H20FN5OS
Molecular Weight337.42 g/mol
Exact Mass337.14
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1ccnn1C
InChIInChI=1S/C15H20FN5OS/c1-10-14(9-23-19-10)15(22)17-6-13-5-11(16)7-21(13)8-12-3-4-18-20(12)2/h3-4,9,11,13H,5-8H2,1-2H3,(H,17,22)/t11-,13-/m0/s1
InChIKeyXOCNMAQTHMMYLC-AAEUAGOBSA-N
XLogP1.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide 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-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide (CID 128974627) is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1ccnn1C.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is XOCNMAQTHMMYLC-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H20FN5OS/c1-10-14(9-23-19-10)15(22)17-6-13-5-11(16)7-21(13)8-12-3-4-18-20(12)2/h3-4,9,11,13H,5-8H2,1-2H3,(H,17,22)/t11-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 1.53, 5 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-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 128974627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).