4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride

C15H20ClN3OS — CID 120898009

IUPAC4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(c3ccc(O)cc3)CC2)s1
InChIInChI=1S/C15H19N3OS.ClH/c16-15-17-9-14(20-15)10-18-7-5-12(6-8-18)11-1-3-13(19)4-2-11;/h1-4,9,12,19H,5-8,10H2,(H2,16,17);1H
InChIKeyPKGHJBJNNPBCAN-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.23
Rot. Bonds3

About 4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride

4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride (PubChem CID 120898009) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride
PubChem CID120898009
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(c3ccc(O)cc3)CC2)s1
InChIInChI=1S/C15H19N3OS.ClH/c16-15-17-9-14(20-15)10-18-7-5-12(6-8-18)11-1-3-13(19)4-2-11;/h1-4,9,12,19H,5-8,10H2,(H2,16,17);1H
InChIKeyPKGHJBJNNPBCAN-UHFFFAOYSA-N
XLogP3.23
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903986
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 120903076
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897963
5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903108
5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 131944851
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 120899572
5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898110
5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903805
5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897575

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride?
The IUPAC name of 4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride (CID 120898009) is 4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride.
What is the SMILES notation for 4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride?
The canonical SMILES for 4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride is Cl.Nc1ncc(CN2CCC(c3ccc(O)cc3)CC2)s1.
What is the InChIKey of 4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride?
The InChIKey is PKGHJBJNNPBCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c16-15-17-9-14(20-15)10-18-7-5-12(6-8-18)11-1-3-13(19)4-2-11;/h1-4,9,12,19H,5-8,10H2,(H2,16,17);1H.
What are the key properties of 4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride?
4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride has a molecular weight of 325.87 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride is sourced from PubChem (CID 120898009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).