2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine

C20H29N5S — CID 111317416

IUPAC2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILESC/N=C(\NCc1csc(-c2ccccc2)n1)NC1CCN(C(C)C)CC1
InChIInChI=1S/C20H29N5S/c1-15(2)25-11-9-17(10-12-25)24-20(21-3)22-13-18-14-26-19(23-18)16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3,(H2,21,22,24)
InChIKeyFAVXUWOYXFMWAH-UHFFFAOYSA-N
MW371.55 g/mol
LogP3.35
Rot. Bonds5

About 2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine

2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine (PubChem CID 111317416) has the molecular formula C20H29N5S and a molecular weight of 371.55 g/mol. Its IUPAC name is 2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
PubChem CID111317416
Molecular FormulaC20H29N5S
Molecular Weight371.55 g/mol
Exact Mass371.21
IUPAC Name2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILESC/N=C(\NCc1csc(-c2ccccc2)n1)NC1CCN(C(C)C)CC1
InChIInChI=1S/C20H29N5S/c1-15(2)25-11-9-17(10-12-25)24-20(21-3)22-13-18-14-26-19(23-18)16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3,(H2,21,22,24)
InChIKeyFAVXUWOYXFMWAH-UHFFFAOYSA-N
XLogP3.35
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.35
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

2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318828
2-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 119132259
tert-butyl 3-[[N'-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]carbamimidoyl]amino]azetidine-1-carboxylate
CID 109466088
2-methyl-1-[(2-phenoxyphenyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111319142
2-methyl-1-(2-phenylpropyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111343386
1-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111755326
1-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111755327
1-[[2-(ethoxymethyl)phenyl]methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318410
2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258338
2-methyl-1-(4-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111942818
1-(3-anilinopropyl)-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318808
1-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318084

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The IUPAC name of 2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine (CID 111317416) is 2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine.
What is the SMILES notation for 2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The canonical SMILES for 2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine is C/N=C(\NCc1csc(-c2ccccc2)n1)NC1CCN(C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The InChIKey is FAVXUWOYXFMWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5S/c1-15(2)25-11-9-17(10-12-25)24-20(21-3)22-13-18-14-26-19(23-18)16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3,(H2,21,22,24).
What are the key properties of 2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine has a molecular weight of 371.55 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111317416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).