N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,6-trimethylpyrimidine-4-carboxamide

C18H24FN5OS — CID 128990762

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,6-trimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)nc(C)n1
InChIInChI=1S/C18H24FN5OS/c1-11-5-17(21-12(2)20-11)18(25)23(4)9-16-6-14(19)7-24(16)8-15-10-26-13(3)22-15/h5,10,14,16H,6-9H2,1-4H3/t14-,16-/m0/s1
InChIKeySBYHGGATDQOWDL-HOCLYGCPSA-N
MW377.49 g/mol
LogP2.54
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,6-trimethylpyrimidine-4-carboxamide

N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,6-trimethylpyrimidine-4-carboxamide (PubChem CID 128990762) has the molecular formula C18H24FN5OS and a molecular weight of 377.49 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,2,6-trimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,6-trimethylpyrimidine-4-carboxamide
PubChem CID128990762
Molecular FormulaC18H24FN5OS
Molecular Weight377.49 g/mol
Exact Mass377.17
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,6-trimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)nc(C)n1
InChIInChI=1S/C18H24FN5OS/c1-11-5-17(21-12(2)20-11)18(25)23(4)9-16-6-14(19)7-24(16)8-15-10-26-13(3)22-15/h5,10,14,16H,6-9H2,1-4H3/t14-,16-/m0/s1
InChIKeySBYHGGATDQOWDL-HOCLYGCPSA-N
XLogP2.54
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,6-trimethylpyrimidine-4-carboxamide with MolForge

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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,2,6-trimethylpyrimidine-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,6-trimethylpyrimidine-4-carboxamide (CID 128990762) is N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,6-trimethylpyrimidine-4-carboxamide.
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,2,6-trimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,6-trimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)nc(C)n1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,6-trimethylpyrimidine-4-carboxamide?
The InChIKey is SBYHGGATDQOWDL-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H24FN5OS/c1-11-5-17(21-12(2)20-11)18(25)23(4)9-16-6-14(19)7-24(16)8-15-10-26-13(3)22-15/h5,10,14,16H,6-9H2,1-4H3/t14-,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,2,6-trimethylpyrimidine-4-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,2,6-trimethylpyrimidine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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,2,6-trimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 128990762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).