N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine

C14H18N2S — CID 58624281

IUPACN-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C14H18N2S/c1-10-9-17-13(15-10)16-12-7-5-11(6-8-12)14(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyUNGSDCUAVVGODW-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.49
Rot. Bonds2

About N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine

N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 58624281) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID58624281
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C14H18N2S/c1-10-9-17-13(15-10)16-12-7-5-11(6-8-12)14(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyUNGSDCUAVVGODW-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 519881
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4-methyl-N-phenyl-1,3-thiazol-2-amine
CID 676722
N-aryl-4-aryl-1,3-thiazole-2-amine, 25
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4-isopropyl-N-(naphthalen-1-yl)thiazol-2-amine
CID 9814022
4-tert-butyl-N-(naphthalen-1-yl)thiazol-2-amine
CID 9814340
N-(naphthalen-1-yl)-4-neopentylthiazol-2-amine
CID 9922232
N-aryl-4-aryl-1,3-thiazole-2-amine, 32
CID 25101200
4-tert-butyl-N-o-tolylthiazol-2-amine
CID 44411322
4-methyl-N-(naphthalen-1-yl)thiazol-2-amine
CID 692856
4-tert-butyl-N-phenylthiazol-2-amine
CID 9899450
2-(p-Aminoanilino)-4-phenyl-thiazole
CID 697284

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine (CID 58624281) is N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is UNGSDCUAVVGODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-9-17-13(15-10)16-12-7-5-11(6-8-12)14(2,3)4/h5-9H,1-4H3,(H,15,16).
What are the key properties of N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine?
N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 58624281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).