[1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol

C14H18N4OS — CID 103361985

IUPAC[1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
SMILESNc1nsc(N2CCCC(CO)C2)c1-c1ccncc1
InChIInChI=1S/C14H18N4OS/c15-13-12(11-3-5-16-6-4-11)14(20-17-13)18-7-1-2-10(8-18)9-19/h3-6,10,19H,1-2,7-9H2,(H2,15,17)
InChIKeyMTIGTRITMOLEKN-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.00
Rot. Bonds3

About [1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol

[1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol (PubChem CID 103361985) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is [1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
PubChem CID103361985
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
SMILESNc1nsc(N2CCCC(CO)C2)c1-c1ccncc1
InChIInChI=1S/C14H18N4OS/c15-13-12(11-3-5-16-6-4-11)14(20-17-13)18-7-1-2-10(8-18)9-19/h3-6,10,19H,1-2,7-9H2,(H2,15,17)
InChIKeyMTIGTRITMOLEKN-UHFFFAOYSA-N
XLogP2.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol (CID 103361985) is [1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol is Nc1nsc(N2CCCC(CO)C2)c1-c1ccncc1.
What is the InChIKey of [1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol?
The InChIKey is MTIGTRITMOLEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c15-13-12(11-3-5-16-6-4-11)14(20-17-13)18-7-1-2-10(8-18)9-19/h3-6,10,19H,1-2,7-9H2,(H2,15,17).
What are the key properties of [1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol?
[1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol has a molecular weight of 290.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 103361985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).