[(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol

C20H23N5OS — CID 58706751

IUPAC[(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1ccnc(Nc2cccc(-c3cnc(CN4CCC[C@H]4CO)s3)n2)c1
InChIInChI=1S/C20H23N5OS/c1-14-7-8-21-19(10-14)24-18-6-2-5-16(23-18)17-11-22-20(27-17)12-25-9-3-4-15(25)13-26/h2,5-8,10-11,15,26H,3-4,9,12-13H2,1H3,(H,21,23,24)/t15-/m0/s1
InChIKeyFBANIQRTQZJWQX-HNNXBMFYSA-N
MW381.51 g/mol
LogP3.61
Rot. Bonds6

About [(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol

[(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 58706751) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is [(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID58706751
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name[(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1ccnc(Nc2cccc(-c3cnc(CN4CCC[C@H]4CO)s3)n2)c1
InChIInChI=1S/C20H23N5OS/c1-14-7-8-21-19(10-14)24-18-6-2-5-16(23-18)17-11-22-20(27-17)12-25-9-3-4-15(25)13-26/h2,5-8,10-11,15,26H,3-4,9,12-13H2,1H3,(H,21,23,24)/t15-/m0/s1
InChIKeyFBANIQRTQZJWQX-HNNXBMFYSA-N
XLogP3.61
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 58706751) is [(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol is Cc1ccnc(Nc2cccc(-c3cnc(CN4CCC[C@H]4CO)s3)n2)c1.
What is the InChIKey of [(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is FBANIQRTQZJWQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-7-8-21-19(10-14)24-18-6-2-5-16(23-18)17-11-22-20(27-17)12-25-9-3-4-15(25)13-26/h2,5-8,10-11,15,26H,3-4,9,12-13H2,1H3,(H,21,23,24)/t15-/m0/s1.
What are the key properties of [(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 381.51 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 58706751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).