4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride

C14H18Cl2N2S — CID 141228989

IUPAC4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)(C)c1nc(N)sc1Cc1ccccc1Cl.Cl
InChIInChI=1S/C14H17ClN2S.ClH/c1-14(2,3)12-11(18-13(16)17-12)8-9-6-4-5-7-10(9)15;/h4-7H,8H2,1-3H3,(H2,16,17);1H
InChIKeyBBETVAZQHYQELM-UHFFFAOYSA-N
MW317.28 g/mol
LogP4.69
Rot. Bonds2

About 4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride

4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 141228989) has the molecular formula C14H18Cl2N2S and a molecular weight of 317.28 g/mol. Its IUPAC name is 4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID141228989
Molecular FormulaC14H18Cl2N2S
Molecular Weight317.28 g/mol
Exact Mass316.06
IUPAC Name4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)(C)c1nc(N)sc1Cc1ccccc1Cl.Cl
InChIInChI=1S/C14H17ClN2S.ClH/c1-14(2,3)12-11(18-13(16)17-12)8-9-6-4-5-7-10(9)15;/h4-7H,8H2,1-3H3,(H2,16,17);1H
InChIKeyBBETVAZQHYQELM-UHFFFAOYSA-N
XLogP4.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 107530840
4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 62066478
4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 66250380
4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
CID 141216793
5-[(2-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 82766257
5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 63399247
5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 62066857
5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 107602467
5-[(2-bromo-3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 103481123
5-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-1,3-thiazol-2-amine;bromobenzene
CID 174956679
4-[(2-amino-4-tert-butyl-1,3-thiazol-5-yl)methyl]benzene-1,2-dicarbonitrile
CID 107792605
5-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 103481119

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 141228989) is 4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride is CC(C)(C)c1nc(N)sc1Cc1ccccc1Cl.Cl.
What is the InChIKey of 4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is BBETVAZQHYQELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S.ClH/c1-14(2,3)12-11(18-13(16)17-12)8-9-6-4-5-7-10(9)15;/h4-7H,8H2,1-3H3,(H2,16,17);1H.
What are the key properties of 4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride?
4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 317.28 g/mol, XLogP of 4.69, 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-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 141228989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).