4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine

C15H19ClN2S — CID 66250380

IUPAC4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Cl)c1Cc1sc(N)nc1C(C)(C)C
InChIInChI=1S/C15H19ClN2S/c1-9-6-5-7-11(16)10(9)8-12-13(15(2,3)4)18-14(17)19-12/h5-7H,8H2,1-4H3,(H2,17,18)
InChIKeyJMQJGIANQIGXSQ-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.58
Rot. Bonds2

About 4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine

4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 66250380) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID66250380
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Cl)c1Cc1sc(N)nc1C(C)(C)C
InChIInChI=1S/C15H19ClN2S/c1-9-6-5-7-11(16)10(9)8-12-13(15(2,3)4)18-14(17)19-12/h5-7H,8H2,1-4H3,(H2,17,18)
InChIKeyJMQJGIANQIGXSQ-UHFFFAOYSA-N
XLogP4.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine (CID 66250380) is 4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine is Cc1cccc(Cl)c1Cc1sc(N)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is JMQJGIANQIGXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-9-6-5-7-11(16)10(9)8-12-13(15(2,3)4)18-14(17)19-12/h5-7H,8H2,1-4H3,(H2,17,18).
What are the key properties of 4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine?
4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 294.85 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 66250380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).