[1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol

C18H26N4OS — CID 75384495

IUPAC[1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol
SMILESCC(C)c1nc(CNc2ccc(N3CCC(CO)CC3)cn2)cs1
InChIInChI=1S/C18H26N4OS/c1-13(2)18-21-15(12-24-18)9-19-17-4-3-16(10-20-17)22-7-5-14(11-23)6-8-22/h3-4,10,12-14,23H,5-9,11H2,1-2H3,(H,19,20)
InChIKeyFCODJDMNKKSMLT-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.48
Rot. Bonds6

About [1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol

[1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol (PubChem CID 75384495) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is [1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol
PubChem CID75384495
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name[1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol
SMILESCC(C)c1nc(CNc2ccc(N3CCC(CO)CC3)cn2)cs1
InChIInChI=1S/C18H26N4OS/c1-13(2)18-21-15(12-24-18)9-19-17-4-3-16(10-20-17)22-7-5-14(11-23)6-8-22/h3-4,10,12-14,23H,5-9,11H2,1-2H3,(H,19,20)
InChIKeyFCODJDMNKKSMLT-UHFFFAOYSA-N
XLogP3.48
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol (CID 75384495) is [1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol is CC(C)c1nc(CNc2ccc(N3CCC(CO)CC3)cn2)cs1.
What is the InChIKey of [1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol?
The InChIKey is FCODJDMNKKSMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13(2)18-21-15(12-24-18)9-19-17-4-3-16(10-20-17)22-7-5-14(11-23)6-8-22/h3-4,10,12-14,23H,5-9,11H2,1-2H3,(H,19,20).
What are the key properties of [1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol?
[1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol has a molecular weight of 346.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-3-pyridinyl]piperidin-4-yl]methanol is sourced from PubChem (CID 75384495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).