N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide

C15H18FN5OS — CID 128973981

IUPACN-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)c1cncnc1
InChIInChI=1S/C15H18FN5OS/c1-20(15(22)11-5-17-10-18-6-11)8-13-4-12(16)7-21(13)9-14-19-2-3-23-14/h2-3,5-6,10,12-13H,4,7-9H2,1H3/t12-,13-/m0/s1
InChIKeyUDSWLUHBMBBGGM-STQMWFEESA-N
MW335.41 g/mol
LogP1.62
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide

N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide (PubChem CID 128973981) has the molecular formula C15H18FN5OS and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide
PubChem CID128973981
Molecular FormulaC15H18FN5OS
Molecular Weight335.41 g/mol
Exact Mass335.12
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)c1cncnc1
InChIInChI=1S/C15H18FN5OS/c1-20(15(22)11-5-17-10-18-6-11)8-13-4-12(16)7-21(13)9-14-19-2-3-23-14/h2-3,5-6,10,12-13H,4,7-9H2,1H3/t12-,13-/m0/s1
InChIKeyUDSWLUHBMBBGGM-STQMWFEESA-N
XLogP1.62
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-Cyclopropylpyrimidin-5-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 118739953
2-ethyl-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-5-pyrimidinecarboxamide
CID 72854014
[2-[Methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone
CID 110139371
(2-Methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 110271243
Pyrimidin-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 118739956
N-isopropyl-5-{[4-(1,3-thiazol-2-yl)piperazin-1-yl]carbonyl}pyrimidin-2-amine
CID 74240734
2-cyclopropyl-N-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-5-carboxamide
CID 97936007
(1-Propan-2-ylpyrazol-4-yl)-[4-(1,3-thiazol-2-ylamino)piperidin-1-yl]methanone
CID 121533677
US20240246937, Example 361
CID 166103933
[4-(1,3-Thiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 121550007
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide
CID 128185273
1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-(pyrimidin-5-ylmethyl)methanamine
CID 128973451

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide (CID 128973981) is N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide is CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)c1cncnc1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide?
The InChIKey is UDSWLUHBMBBGGM-STQMWFEESA-N. The full InChI is InChI=1S/C15H18FN5OS/c1-20(15(22)11-5-17-10-18-6-11)8-13-4-12(16)7-21(13)9-14-19-2-3-23-14/h2-3,5-6,10,12-13H,4,7-9H2,1H3/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 1.62, 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-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 128973981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).