2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine

C18H20N4S — CID 3055124

IUPAC2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine
SMILESCC(C)(C)/N=C(/Nc1ccc2ccccc2c1)Nc1nccs1
InChIInChI=1S/C18H20N4S/c1-18(2,3)22-16(21-17-19-10-11-23-17)20-15-9-8-13-6-4-5-7-14(13)12-15/h4-12H,1-3H3,(H2,19,20,21,22)
InChIKeyYOWFRQPQNGSXCZ-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.97
Rot. Bonds2

About 2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine

2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine (PubChem CID 3055124) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine.

Molecular Properties

Compound Name2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine
PubChem CID3055124
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine
SMILESCC(C)(C)/N=C(/Nc1ccc2ccccc2c1)Nc1nccs1
InChIInChI=1S/C18H20N4S/c1-18(2,3)22-16(21-17-19-10-11-23-17)20-15-9-8-13-6-4-5-7-14(13)12-15/h4-12H,1-3H3,(H2,19,20,21,22)
InChIKeyYOWFRQPQNGSXCZ-UHFFFAOYSA-N
XLogP4.97
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.97
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-methyl-2-naphthalen-2-yloxy-N-(1,3-thiazol-2-yl)propanamide
CID 24962327
2-tert-butyl-1-(2-ethoxyquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine;bis(nitric acid)
CID 12554751
1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
CID 19703671
N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine
CID 78910611
1-quinolin-3-yl-3-(1,3-thiazol-2-yl)urea
CID 47149919
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 45000900
N-[3-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299283
N-naphthalen-2-ylpyrimidine-4-carboxamide
CID 140508314
N-(1H-indazol-6-yl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108520045
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 89458948

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine?
The IUPAC name of 2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine (CID 3055124) is 2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine.
What is the SMILES notation for 2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine?
The canonical SMILES for 2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine is CC(C)(C)/N=C(/Nc1ccc2ccccc2c1)Nc1nccs1.
What is the InChIKey of 2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine?
The InChIKey is YOWFRQPQNGSXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-18(2,3)22-16(21-17-19-10-11-23-17)20-15-9-8-13-6-4-5-7-14(13)12-15/h4-12H,1-3H3,(H2,19,20,21,22).
What are the key properties of 2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine?
2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine has a molecular weight of 324.45 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine is sourced from PubChem (CID 3055124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).