2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine

C14H18N4S — CID 24938739

IUPAC2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine
SMILESCC(C)(C)c1ccc(-c2csc(N=C(N)N)n2)cc1
InChIInChI=1S/C14H18N4S/c1-14(2,3)10-6-4-9(5-7-10)11-8-19-13(17-11)18-12(15)16/h4-8H,1-3H3,(H4,15,16,17,18)
InChIKeyFFRFUKHAHYFSTQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.01
Rot. Bonds2

About 2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine

2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine (PubChem CID 24938739) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine
PubChem CID24938739
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine
SMILESCC(C)(C)c1ccc(-c2csc(N=C(N)N)n2)cc1
InChIInChI=1S/C14H18N4S/c1-14(2,3)10-6-4-9(5-7-10)11-8-19-13(17-11)18-12(15)16/h4-8H,1-3H3,(H4,15,16,17,18)
InChIKeyFFRFUKHAHYFSTQ-UHFFFAOYSA-N
XLogP3.01
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.01
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

2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]guanidine
CID 87544723
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 24854747
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 24854875
2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride
CID 24854754
N'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
CID 4653684
2-[4-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-thiazol-2-yl]guanidine
CID 87545305
N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10661107
2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 142693097
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 18322948
1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61337689
2-[4-(furan-2-yl)-1,3-thiazol-2-yl]guanidine
CID 13387169
2-[4-[2-(hydroxymethyl)-4-pyridinyl]-1,3-thiazol-2-yl]guanidine
CID 10264073

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine (CID 24938739) is 2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine is CC(C)(C)c1ccc(-c2csc(N=C(N)N)n2)cc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is FFRFUKHAHYFSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-14(2,3)10-6-4-9(5-7-10)11-8-19-13(17-11)18-12(15)16/h4-8H,1-3H3,(H4,15,16,17,18).
What are the key properties of 2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine?
2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 274.39 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 24938739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).