5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide

C14H19BrN2S — CID 141313794

IUPAC5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.CCCCc1nc(N)sc1Cc1ccccc1
InChIInChI=1S/C14H18N2S.BrH/c1-2-3-9-12-13(17-14(15)16-12)10-11-7-5-4-6-8-11;/h4-8H,2-3,9-10H2,1H3,(H2,15,16);1H
InChIKeyNJDCJXZSRXIHAG-UHFFFAOYSA-N
MW327.29 g/mol
LogP4.24
Rot. Bonds5

About 5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide

5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide (PubChem CID 141313794) has the molecular formula C14H19BrN2S and a molecular weight of 327.29 g/mol. Its IUPAC name is 5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide
PubChem CID141313794
Molecular FormulaC14H19BrN2S
Molecular Weight327.29 g/mol
Exact Mass326.05
IUPAC Name5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.CCCCc1nc(N)sc1Cc1ccccc1
InChIInChI=1S/C14H18N2S.BrH/c1-2-3-9-12-13(17-14(15)16-12)10-11-7-5-4-6-8-11;/h4-8H,2-3,9-10H2,1H3,(H2,15,16);1H
InChIKeyNJDCJXZSRXIHAG-UHFFFAOYSA-N
XLogP4.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63399362
5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine
CID 91609716
4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine
CID 62813752
5-benzyl-4-phenyl-1,3-thiazol-2-amine
CID 57476891
4-butyl-2-phenyl-1,3-thiazol-5-amine
CID 62077156
5-[[2-(methoxymethyl)phenyl]methyl]-4-propyl-1,3-thiazol-2-amine
CID 62064336
5-pentyl-4-phenyl-1,3-thiazol-2-amine
CID 3356434
2-(methylsulfanylmethyl)-4-pentyl-5-[(4-phenylphenyl)methyl]-1,3-thiazole
CID 173369762
4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole
CID 46862434
5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 107577222
5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 107622755
4-butyl-2-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazole
CID 57231235

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide (CID 141313794) is 5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide is Br.CCCCc1nc(N)sc1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is NJDCJXZSRXIHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S.BrH/c1-2-3-9-12-13(17-14(15)16-12)10-11-7-5-4-6-8-11;/h4-8H,2-3,9-10H2,1H3,(H2,15,16);1H.
What are the key properties of 5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide?
5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 327.29 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 141313794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).