1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine

C11H18N4OS — CID 114181521

IUPAC1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine
SMILESN/C(=N\Cc1csc(=O)[nH]1)NC1CCCCC1
InChIInChI=1S/C11H18N4OS/c12-10(14-8-4-2-1-3-5-8)13-6-9-7-17-11(16)15-9/h7-8H,1-6H2,(H,15,16)(H3,12,13,14)
InChIKeyFLKYCMSWGOHVBU-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.17
Rot. Bonds3

About 1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine

1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine (PubChem CID 114181521) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine
PubChem CID114181521
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine
SMILESN/C(=N\Cc1csc(=O)[nH]1)NC1CCCCC1
InChIInChI=1S/C11H18N4OS/c12-10(14-8-4-2-1-3-5-8)13-6-9-7-17-11(16)15-9/h7-8H,1-6H2,(H,15,16)(H3,12,13,14)
InChIKeyFLKYCMSWGOHVBU-UHFFFAOYSA-N
XLogP1.17
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.17
H-Bond Donors ≤ 53
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-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea
CID 106380576
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CID 106380797
1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine
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1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide
CID 111071207
1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
CID 119164307
1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine
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1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine (CID 114181521) is 1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine is N/C(=N\Cc1csc(=O)[nH]1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine?
The InChIKey is FLKYCMSWGOHVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c12-10(14-8-4-2-1-3-5-8)13-6-9-7-17-11(16)15-9/h7-8H,1-6H2,(H,15,16)(H3,12,13,14).
What are the key properties of 1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine?
1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine has a molecular weight of 254.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine is sourced from PubChem (CID 114181521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).