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

C14H18BrClN2S — CID 141216793

IUPAC4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.CC(C)(C)c1nc(N)sc1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2S.BrH/c1-14(2,3)12-11(18-13(16)17-12)8-9-4-6-10(15)7-5-9;/h4-7H,8H2,1-3H3,(H2,16,17);1H
InChIKeyUQXCXHHVZKGTMB-UHFFFAOYSA-N
MW361.74 g/mol
LogP4.84
Rot. Bonds2

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

4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide (PubChem CID 141216793) has the molecular formula C14H18BrClN2S and a molecular weight of 361.74 g/mol. Its IUPAC name is 4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
PubChem CID141216793
Molecular FormulaC14H18BrClN2S
Molecular Weight361.74 g/mol
Exact Mass360.01
IUPAC Name4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.CC(C)(C)c1nc(N)sc1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2S.BrH/c1-14(2,3)12-11(18-13(16)17-12)8-9-4-6-10(15)7-5-9;/h4-7H,8H2,1-3H3,(H2,16,17);1H
InChIKeyUQXCXHHVZKGTMB-UHFFFAOYSA-N
XLogP4.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.74
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-4-tert-butyl-1,3-thiazol-5-yl)methyl]benzene-1,2-dicarbonitrile
CID 107792605
4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 141228989
5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 62066857
4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62064846
4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 107530840
4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 66250380
4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine
CID 57329835
4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 62066478
4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]-1,3-thiazol-2-amine
CID 141234580
5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 114223006
5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 107577223
4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 57329668

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide (CID 141216793) is 4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide is Br.CC(C)(C)c1nc(N)sc1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is UQXCXHHVZKGTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S.BrH/c1-14(2,3)12-11(18-13(16)17-12)8-9-4-6-10(15)7-5-9;/h4-7H,8H2,1-3H3,(H2,16,17);1H.
What are the key properties of 4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide?
4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 361.74 g/mol, XLogP of 4.84, 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-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 141216793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).