1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol

C20H28N4OS — CID 100647658

IUPAC1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol
SMILESCN(Cc1cccnc1)Cc1nc(C2(O)CCN(CC3CC3)CC2)cs1
InChIInChI=1S/C20H28N4OS/c1-23(12-17-3-2-8-21-11-17)14-19-22-18(15-26-19)20(25)6-9-24(10-7-20)13-16-4-5-16/h2-3,8,11,15-16,25H,4-7,9-10,12-14H2,1H3
InChIKeyQLTCEGAXYMOEBO-UHFFFAOYSA-N
MW372.54 g/mol
LogP2.86
Rot. Bonds7

About 1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol

1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol (PubChem CID 100647658) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol
PubChem CID100647658
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol
SMILESCN(Cc1cccnc1)Cc1nc(C2(O)CCN(CC3CC3)CC2)cs1
InChIInChI=1S/C20H28N4OS/c1-23(12-17-3-2-8-21-11-17)14-19-22-18(15-26-19)20(25)6-9-24(10-7-20)13-16-4-5-16/h2-3,8,11,15-16,25H,4-7,9-10,12-14H2,1H3
InChIKeyQLTCEGAXYMOEBO-UHFFFAOYSA-N
XLogP2.86
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol with MolForge

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Related Compounds

cyclohexyl-[4-hydroxy-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone
CID 100627782
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 43664653
8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155824993
4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-(4,4-difluorocyclohexyl)piperidin-4-ol
CID 100642775
(1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
CID 124822087
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
1-[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 128999142
1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 76540758
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
1-[(3R)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400770

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol?
The IUPAC name of 1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol (CID 100647658) is 1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol is CN(Cc1cccnc1)Cc1nc(C2(O)CCN(CC3CC3)CC2)cs1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol?
The InChIKey is QLTCEGAXYMOEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-23(12-17-3-2-8-21-11-17)14-19-22-18(15-26-19)20(25)6-9-24(10-7-20)13-16-4-5-16/h2-3,8,11,15-16,25H,4-7,9-10,12-14H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol?
1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol has a molecular weight of 372.54 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]piperidin-4-ol is sourced from PubChem (CID 100647658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).