N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide

C17H24FN5OS — CID 128991263

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)n[nH]1
InChIInChI=1S/C17H24FN5OS/c1-11-4-14(21-20-11)6-17(24)22(3)9-16-5-13(18)7-23(16)8-15-10-25-12(2)19-15/h4,10,13,16H,5-9H2,1-3H3,(H,20,21)/t13-,16-/m0/s1
InChIKeyGTJWYHSYSACQME-BBRMVZONSA-N
MW365.48 g/mol
LogP2.10
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide

N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 128991263) has the molecular formula C17H24FN5OS and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID128991263
Molecular FormulaC17H24FN5OS
Molecular Weight365.48 g/mol
Exact Mass365.17
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)n[nH]1
InChIInChI=1S/C17H24FN5OS/c1-11-4-14(21-20-11)6-17(24)22(3)9-16-5-13(18)7-23(16)8-15-10-25-12(2)19-15/h4,10,13,16H,5-9H2,1-3H3,(H,20,21)/t13-,16-/m0/s1
InChIKeyGTJWYHSYSACQME-BBRMVZONSA-N
XLogP2.10
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 128991263) is N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(CC(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)n[nH]1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is GTJWYHSYSACQME-BBRMVZONSA-N. The full InChI is InChI=1S/C17H24FN5OS/c1-11-4-14(21-20-11)6-17(24)22(3)9-16-5-13(18)7-23(16)8-15-10-25-12(2)19-15/h4,10,13,16H,5-9H2,1-3H3,(H,20,21)/t13-,16-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 128991263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).