4,5-dimethyl-1,3-thiazol-2-amine bromide

C5H8BrN2S- — CID 21234862

IUPAC4,5-dimethyl-1,3-thiazol-2-amine bromide
SMILESCc1nc(N)sc1C.[Br-]
InChIInChI=1S/C5H8N2S.BrH/c1-3-4(2)8-5(6)7-3;/h1-2H3,(H2,6,7);1H/p-1
InChIKeyCATCJRCKBGAMKK-UHFFFAOYSA-M
MW208.10 g/mol
LogP-1.65
Rot. Bonds

About 4,5-dimethyl-1,3-thiazol-2-amine bromide

4,5-dimethyl-1,3-thiazol-2-amine bromide (PubChem CID 21234862) has the molecular formula C5H8BrN2S- and a molecular weight of 208.10 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-thiazol-2-amine bromide.

Molecular Properties

Compound Name4,5-dimethyl-1,3-thiazol-2-amine bromide
PubChem CID21234862
Molecular FormulaC5H8BrN2S-
Molecular Weight208.10 g/mol
Exact Mass206.96
IUPAC Name4,5-dimethyl-1,3-thiazol-2-amine bromide
SMILESCc1nc(N)sc1C.[Br-]
InChIInChI=1S/C5H8N2S.BrH/c1-3-4(2)8-5(6)7-3;/h1-2H3,(H2,6,7);1H/p-1
InChIKeyCATCJRCKBGAMKK-UHFFFAOYSA-M
XLogP-1.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-methyl-1,3-thiazole-4-carbaldehyde
CID 45083446
5-fluoro-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 71757840
5-(aminomethyl)-4-methyl-1,3-thiazol-2-amine
CID 24820452
4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine
CID 127003453
5-(1-aminoethyl)-4-methyl-1,3-thiazol-2-amine
CID 61295642
5-(1-fluoroethyl)-4-methyl-1,3-thiazol-2-amine
CID 83853616
4-methyl-5-methylsulfonyl-1,3-thiazol-2-amine
CID 91306499
ethane;5-ethenyl-4-methyl-1,3-thiazol-2-amine
CID 177047215
2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane
CID 162228688
5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 84783642
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 130154004
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-thiazol-2-amine bromide?
The IUPAC name of 4,5-dimethyl-1,3-thiazol-2-amine bromide (CID 21234862) is 4,5-dimethyl-1,3-thiazol-2-amine bromide.
What is the SMILES notation for 4,5-dimethyl-1,3-thiazol-2-amine bromide?
The canonical SMILES for 4,5-dimethyl-1,3-thiazol-2-amine bromide is Cc1nc(N)sc1C.[Br-].
What is the InChIKey of 4,5-dimethyl-1,3-thiazol-2-amine bromide?
The InChIKey is CATCJRCKBGAMKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8N2S.BrH/c1-3-4(2)8-5(6)7-3;/h1-2H3,(H2,6,7);1H/p-1.
What are the key properties of 4,5-dimethyl-1,3-thiazol-2-amine bromide?
4,5-dimethyl-1,3-thiazol-2-amine bromide has a molecular weight of 208.10 g/mol, XLogP of -1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-thiazol-2-amine bromide is sourced from PubChem (CID 21234862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).