1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine

C10H16N4S — CID 119114480

IUPAC1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESC/N=C(\NCc1nc(C)cs1)NC1CC1
InChIInChI=1S/C10H16N4S/c1-7-6-15-9(13-7)5-12-10(11-2)14-8-3-4-8/h6,8H,3-5H2,1-2H3,(H2,11,12,14)
InChIKeyKHYFYSFSMXMAEC-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.28
Rot. Bonds3

About 1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine

1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine (PubChem CID 119114480) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
PubChem CID119114480
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESC/N=C(\NCc1nc(C)cs1)NC1CC1
InChIInChI=1S/C10H16N4S/c1-7-6-15-9(13-7)5-12-10(11-2)14-8-3-4-8/h6,8H,3-5H2,1-2H3,(H2,11,12,14)
InChIKeyKHYFYSFSMXMAEC-UHFFFAOYSA-N
XLogP1.28
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclohexyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119115680
2-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 119132259
2-[[(cyclopropylamino)-[(4-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116997
2-methyl-1-(oxan-4-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 119160469
1-[2-(2,6-difluorophenyl)cyclopropyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119146445
2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111019099
2-methyl-1-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111319312
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119146190
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 51082353
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 111142053
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119116973
2-methyl-1-(4-methylcyclohexyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111256863

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine (CID 119114480) is 1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine is C/N=C(\NCc1nc(C)cs1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The InChIKey is KHYFYSFSMXMAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-7-6-15-9(13-7)5-12-10(11-2)14-8-3-4-8/h6,8H,3-5H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine?
1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine has a molecular weight of 224.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine is sourced from PubChem (CID 119114480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).