2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C17H23N5S — CID 42194400

IUPAC2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1cnc(N2CCC([C@H]3CCN(Cc4nccs4)C3)CC2)nc1
InChIInChI=1S/C17H23N5S/c1-5-19-17(20-6-1)22-9-3-14(4-10-22)15-2-8-21(12-15)13-16-18-7-11-23-16/h1,5-7,11,14-15H,2-4,8-10,12-13H2/t15-/m0/s1
InChIKeyBMGNTJFNNTVQAL-HNNXBMFYSA-N
MW329.47 g/mol
LogP2.67
Rot. Bonds4

About 2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 42194400) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID42194400
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1cnc(N2CCC([C@H]3CCN(Cc4nccs4)C3)CC2)nc1
InChIInChI=1S/C17H23N5S/c1-5-19-17(20-6-1)22-9-3-14(4-10-22)15-2-8-21(12-15)13-16-18-7-11-23-16/h1,5-7,11,14-15H,2-4,8-10,12-13H2/t15-/m0/s1
InChIKeyBMGNTJFNNTVQAL-HNNXBMFYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-propyl-5-[[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 42148205
(5aR,9aS)-4-(pyridin-3-ylmethyl)-8-(1,3-thiazol-2-ylmethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 97403395
1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 55249277
N-[[(1S,3aR,7aR)-5-(1,3-thiazol-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyrimidin-2-amine
CID 97461801
N,N-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 141061386
2-[4-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine
CID 26392023
2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 99832802
(5aR,9aS)-4-(5-ethylpyrimidin-2-yl)-8-(1,3-thiazol-2-ylmethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine;2,2,2-trifluoroacetic acid
CID 155840275
9-pyrimidin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155860242
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
1-[(2S,3aR,7aS)-1-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 97460079
3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 120781587

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 42194400) is 2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is c1cnc(N2CCC([C@H]3CCN(Cc4nccs4)C3)CC2)nc1.
What is the InChIKey of 2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BMGNTJFNNTVQAL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-5-19-17(20-6-1)22-9-3-14(4-10-22)15-2-8-21(12-15)13-16-18-7-11-23-16/h1,5-7,11,14-15H,2-4,8-10,12-13H2/t15-/m0/s1.
What are the key properties of 2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 329.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 42194400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).