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

C14H21N5OS — CID 120900630

IUPAC[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C14H21N5OS/c1-18-7-4-16-13(18)12(20)10-2-5-19(6-3-10)9-11-8-17-14(15)21-11/h4,7-8,10,12,20H,2-3,5-6,9H2,1H3,(H2,15,17)
InChIKeyHBJAKNRPLYBYQC-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.40
Rot. Bonds4

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

[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 120900630) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID120900630
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C14H21N5OS/c1-18-7-4-16-13(18)12(20)10-2-5-19(6-3-10)9-11-8-17-14(15)21-11/h4,7-8,10,12,20H,2-3,5-6,9H2,1H3,(H2,15,17)
InChIKeyHBJAKNRPLYBYQC-UHFFFAOYSA-N
XLogP1.40
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol with MolForge

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Related Compounds

(R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 124516622
5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900208
3-chloro-5-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]phenol
CID 136568437
[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 171909909
(S)-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97159643
(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 99946557
(R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol
CID 99931995
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
CID 97092059
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 120900630) is [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)C1CCN(Cc2cnc(N)s2)CC1.
What is the InChIKey of [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is HBJAKNRPLYBYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-18-7-4-16-13(18)12(20)10-2-5-19(6-3-10)9-11-8-17-14(15)21-11/h4,7-8,10,12,20H,2-3,5-6,9H2,1H3,(H2,15,17).
What are the key properties of [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 307.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 120900630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).