2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine

C18H28N6S — CID 111323216

IUPAC2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccn[nH]1)NCC(c1cccs1)N1CCC(C)CC1
InChIInChI=1S/C18H28N6S/c1-14-6-9-24(10-7-14)16(17-4-3-11-25-17)13-21-18(19-2)20-12-15-5-8-22-23-15/h3-5,8,11,14,16H,6-7,9-10,12-13H2,1-2H3,(H,22,23)(H2,19,20,21)
InChIKeyFYTHWIPZVMZQDL-UHFFFAOYSA-N
MW360.53 g/mol
LogP2.61
Rot. Bonds6

About 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine

2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine (PubChem CID 111323216) has the molecular formula C18H28N6S and a molecular weight of 360.53 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine
PubChem CID111323216
Molecular FormulaC18H28N6S
Molecular Weight360.53 g/mol
Exact Mass360.21
IUPAC Name2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccn[nH]1)NCC(c1cccs1)N1CCC(C)CC1
InChIInChI=1S/C18H28N6S/c1-14-6-9-24(10-7-14)16(17-4-3-11-25-17)13-21-18(19-2)20-12-15-5-8-22-23-15/h3-5,8,11,14,16H,6-7,9-10,12-13H2,1-2H3,(H,22,23)(H2,19,20,21)
InChIKeyFYTHWIPZVMZQDL-UHFFFAOYSA-N
XLogP2.61
TPSA68.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 52.61
H-Bond Donors ≤ 53
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-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94173591
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257937
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969967
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-prop-2-ynylguanidine
CID 111323372
1-(cyclopropylmethyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111323223
2-methyl-N-[2-[[N'-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamimidoyl]amino]ethyl]propanamide
CID 111323370
1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111323595
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125886
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111323307
1-(3-methoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 110975506
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111323543
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-[(4-methylsulfonylphenyl)methyl]guanidine
CID 111323394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine (CID 111323216) is 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine is C/N=C(\NCc1ccn[nH]1)NCC(c1cccs1)N1CCC(C)CC1.
What is the InChIKey of 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine?
The InChIKey is FYTHWIPZVMZQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6S/c1-14-6-9-24(10-7-14)16(17-4-3-11-25-17)13-21-18(19-2)20-12-15-5-8-22-23-15/h3-5,8,11,14,16H,6-7,9-10,12-13H2,1-2H3,(H,22,23)(H2,19,20,21).
What are the key properties of 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine?
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine has a molecular weight of 360.53 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine is sourced from PubChem (CID 111323216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).