5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine

C16H24FN7S — CID 120905364

IUPAC5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1cnc(N)s1)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1
InChIInChI=1S/C16H24FN7S/c1-22(2)16-19-5-4-14(21-16)24-8-11(17)6-12(24)9-23(3)10-13-7-20-15(18)25-13/h4-5,7,11-12H,6,8-10H2,1-3H3,(H2,18,20)/t11-,12-/m0/s1
InChIKeyOCWBERHEYQZJCH-RYUDHWBXSA-N
MW365.48 g/mol
LogP1.63
Rot. Bonds6

About 5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine

5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 120905364) has the molecular formula C16H24FN7S and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID120905364
Molecular FormulaC16H24FN7S
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1cnc(N)s1)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1
InChIInChI=1S/C16H24FN7S/c1-22(2)16-19-5-4-14(21-16)24-8-11(17)6-12(24)9-23(3)10-13-7-20-15(18)25-13/h4-5,7,11-12H,6,8-10H2,1-3H3,(H2,18,20)/t11-,12-/m0/s1
InChIKeyOCWBERHEYQZJCH-RYUDHWBXSA-N
XLogP1.63
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

2-(6-(4-(2-(Pyrrolidin-1-yl)ethyl)piperazin-1-yl)pyrimidin-4-ylamino)thiazole-5-carbonitrile
CID 21934697
2-{[6-(3-Aminopyrrolidin-1-yl)pyrimidin-4-yl]amino}-1,3-thiazole-5-carbonitrile
CID 21934707
2-Pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 47053717
6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 56778107
N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 71933043
N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 72874851
4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 75421998
N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine
CID 100651961
2-(4-Fluoro-1-propan-2-ylpiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole
CID 57685903
2-(4-Fluoro-4-methylpiperidin-1-yl)-5-pyrimidin-2-yl-1,3-thiazole
CID 68190609
5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 139500253
5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 139500286

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine (CID 120905364) is 5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine is CN(Cc1cnc(N)s1)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1.
What is the InChIKey of 5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is OCWBERHEYQZJCH-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H24FN7S/c1-22(2)16-19-5-4-14(21-16)24-8-11(17)6-12(24)9-23(3)10-13-7-20-15(18)25-13/h4-5,7,11-12H,6,8-10H2,1-3H3,(H2,18,20)/t11-,12-/m0/s1.
What are the key properties of 5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine?
5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 365.48 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120905364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).