4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine

C14H17ClN2S — CID 2798714

IUPAC4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1c(Cl)cccc1Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H17ClN2S/c1-9-10(15)6-5-7-11(9)16-13-17-12(8-18-13)14(2,3)4/h5-8H,1-4H3,(H,16,17)
InChIKeyJCRQUUDIIBXTKA-UHFFFAOYSA-N
MW280.82 g/mol
LogP5.15
Rot. Bonds2

About 4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine

4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 2798714) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine
PubChem CID2798714
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1c(Cl)cccc1Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H17ClN2S/c1-9-10(15)6-5-7-11(9)16-13-17-12(8-18-13)14(2,3)4/h5-8H,1-4H3,(H,16,17)
InChIKeyJCRQUUDIIBXTKA-UHFFFAOYSA-N
XLogP5.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.82
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine (CID 2798714) is 4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine is Cc1c(Cl)cccc1Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of 4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is JCRQUUDIIBXTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-9-10(15)6-5-7-11(9)16-13-17-12(8-18-13)14(2,3)4/h5-8H,1-4H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine?
4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 280.82 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-chloro-2-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2798714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).