3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine

C12H21N5S — CID 104886233

IUPAC3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESCc1ncsc1CN(C)/C(=N/C1CCCC1)NN
InChIInChI=1S/C12H21N5S/c1-9-11(18-8-14-9)7-17(2)12(16-13)15-10-5-3-4-6-10/h8,10H,3-7,13H2,1-2H3,(H,15,16)
InChIKeyPVOKEKMJQMZBJP-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.65
Rot. Bonds3

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

3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine (PubChem CID 104886233) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
PubChem CID104886233
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESCc1ncsc1CN(C)/C(=N/C1CCCC1)NN
InChIInChI=1S/C12H21N5S/c1-9-11(18-8-14-9)7-17(2)12(16-13)15-10-5-3-4-6-10/h8,10H,3-7,13H2,1-2H3,(H,15,16)
InChIKeyPVOKEKMJQMZBJP-UHFFFAOYSA-N
XLogP1.65
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 116513032
3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115619023
3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine
CID 116513310
3-amino-1-[(3-chlorophenyl)methyl]-2-cyclohexyl-1-methylguanidine
CID 116513862
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine
CID 116513845
N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide
CID 116656098
3-amino-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414
3-amino-2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
CID 104883686
1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 115442195
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide
CID 63836900
3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiophene-2-carbohydrazide
CID 63840723

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The IUPAC name of 3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine (CID 104886233) is 3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine.
What is the SMILES notation for 3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The canonical SMILES for 3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine is Cc1ncsc1CN(C)/C(=N/C1CCCC1)NN.
What is the InChIKey of 3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The InChIKey is PVOKEKMJQMZBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-9-11(18-8-14-9)7-17(2)12(16-13)15-10-5-3-4-6-10/h8,10H,3-7,13H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine has a molecular weight of 267.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopentyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine is sourced from PubChem (CID 104886233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).