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

C13H22N4S — CID 110030768

IUPAC1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCC(C)c1nc(CC/N=C(\N)N(C)C2CC2)cs1
InChIInChI=1S/C13H22N4S/c1-9(2)12-16-10(8-18-12)6-7-15-13(14)17(3)11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H2,14,15)
InChIKeyWDXPKXBLXVABDG-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.22
Rot. Bonds5

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

1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine (PubChem CID 110030768) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
PubChem CID110030768
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCC(C)c1nc(CC/N=C(\N)N(C)C2CC2)cs1
InChIInChI=1S/C13H22N4S/c1-9(2)12-16-10(8-18-12)6-7-15-13(14)17(3)11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H2,14,15)
InChIKeyWDXPKXBLXVABDG-UHFFFAOYSA-N
XLogP2.22
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
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

N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 126762296
1-cyclopropyl-2-[2-(3,5-difluorophenyl)ethyl]-1-methylguanidine;hydroiodide
CID 110030763
1-cyclopropyl-1-methyl-2-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]guanidine;hydroiodide
CID 110030845
1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 110031793
4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111090615
(3R)-N-ethyl-3-hydroxy-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111550794
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111961314
2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide
CID 118934421
(3R)-N-ethyl-3-hydroxy-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111550793
methyl (2S)-2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate
CID 10663834
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine
CID 110029580
trans-(1S,3S)-3-N,3-N-dimethyl-1-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1,3-diamine
CID 97158615

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine (CID 110030768) is 1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine is CC(C)c1nc(CC/N=C(\N)N(C)C2CC2)cs1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine?
The InChIKey is WDXPKXBLXVABDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-9(2)12-16-10(8-18-12)6-7-15-13(14)17(3)11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H2,14,15).
What are the key properties of 1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine?
1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine has a molecular weight of 266.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 110030768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).