(2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol

C17H25N5OS — CID 95132813

IUPAC(2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol
SMILESCC[C@H](O)Cn1cc(C2=CCN(Cc3csc(NC)n3)CC2)cn1
InChIInChI=1S/C17H25N5OS/c1-3-16(23)11-22-9-14(8-19-22)13-4-6-21(7-5-13)10-15-12-24-17(18-2)20-15/h4,8-9,12,16,23H,3,5-7,10-11H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyFGDZBQHVECQHLT-INIZCTEOSA-N
MW347.49 g/mol
LogP2.44
Rot. Bonds7

About (2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol

(2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol (PubChem CID 95132813) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is (2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol
PubChem CID95132813
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name(2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol
SMILESCC[C@H](O)Cn1cc(C2=CCN(Cc3csc(NC)n3)CC2)cn1
InChIInChI=1S/C17H25N5OS/c1-3-16(23)11-22-9-14(8-19-22)13-4-6-21(7-5-13)10-15-12-24-17(18-2)20-15/h4,8-9,12,16,23H,3,5-7,10-11H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyFGDZBQHVECQHLT-INIZCTEOSA-N
XLogP2.44
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 130552838
4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine
CID 56700573
[(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol
CID 97117424
N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine
CID 91839682
2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol
CID 50981118
N-[[4-[(4-phenylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62771879
N-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95285121
(2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 125140095
N-[4-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86773551
N-methyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 59665191
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-phenylpyrazol-1-yl)propan-2-ol
CID 109411582
N-[[4-[(4-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62449303

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
The IUPAC name of (2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol (CID 95132813) is (2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol.
What is the SMILES notation for (2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
The canonical SMILES for (2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol is CC[C@H](O)Cn1cc(C2=CCN(Cc3csc(NC)n3)CC2)cn1.
What is the InChIKey of (2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
The InChIKey is FGDZBQHVECQHLT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-3-16(23)11-22-9-14(8-19-22)13-4-6-21(7-5-13)10-15-12-24-17(18-2)20-15/h4,8-9,12,16,23H,3,5-7,10-11H2,1-2H3,(H,18,20)/t16-/m0/s1.
What are the key properties of (2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
(2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol has a molecular weight of 347.49 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol is sourced from PubChem (CID 95132813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).