1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine

C19H27N5S — CID 119148060

IUPAC1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESCc1nc(C)c(C/N=C(\N)NC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C19H27N5S/c1-14-18(25-15(2)22-14)12-21-19(20)23-17-8-10-24(11-9-17)13-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H3,20,21,23)
InChIKeyWAIXGTNHWWBJJK-UHFFFAOYSA-N
MW357.53 g/mol
LogP2.83
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine

1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine (PubChem CID 119148060) has the molecular formula C19H27N5S and a molecular weight of 357.53 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
PubChem CID119148060
Molecular FormulaC19H27N5S
Molecular Weight357.53 g/mol
Exact Mass357.20
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESCc1nc(C)c(C/N=C(\N)NC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C19H27N5S/c1-14-18(25-15(2)22-14)12-21-19(20)23-17-8-10-24(11-9-17)13-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H3,20,21,23)
InChIKeyWAIXGTNHWWBJJK-UHFFFAOYSA-N
XLogP2.83
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzylpiperidin-4-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine
CID 111759389
1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111817540
1-(1-benzylpiperidin-4-yl)-2-[(2-methyl-1,3-oxazol-5-yl)methyl]guanidine
CID 122098796
1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine
CID 119117109
5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 154829009
N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36762015
1-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 119118310
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-cyclopropyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]guanidine
CID 110915054
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111771785
2-benzyl-N-(1-benzylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 39084162
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110985432

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine (CID 119148060) is 1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine is Cc1nc(C)c(C/N=C(\N)NC2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine?
The InChIKey is WAIXGTNHWWBJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5S/c1-14-18(25-15(2)22-14)12-21-19(20)23-17-8-10-24(11-9-17)13-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H3,20,21,23).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine?
1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine has a molecular weight of 357.53 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine is sourced from PubChem (CID 119148060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).