(4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium

C8H15N2S+ — CID 7175910

IUPAC(4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium
SMILESCc1csc(C[NH2+]C(C)C)n1
InChIInChI=1S/C8H14N2S/c1-6(2)9-4-8-10-7(3)5-11-8/h5-6,9H,4H2,1-3H3/p+1
InChIKeyBFIRMUXOKKNHBK-UHFFFAOYSA-O
MW171.29 g/mol
LogP0.92
Rot. Bonds3

About (4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium

(4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium (PubChem CID 7175910) has the molecular formula C8H15N2S+ and a molecular weight of 171.29 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium
PubChem CID7175910
Molecular FormulaC8H15N2S+
Molecular Weight171.29 g/mol
Exact Mass171.10
IUPAC Name(4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium
SMILESCc1csc(C[NH2+]C(C)C)n1
InChIInChI=1S/C8H14N2S/c1-6(2)9-4-8-10-7(3)5-11-8/h5-6,9H,4H2,1-3H3/p+1
InChIKeyBFIRMUXOKKNHBK-UHFFFAOYSA-O
XLogP0.92
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-(3-methylbutyl)-1,3-thiazole
CID 115641470
2-ethyl-4-methyl-1,3-thiazole
CID 27440
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine
CID 115691306
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
1-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 107859632
3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol
CID 103773263
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
CID 67878325

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium?
The IUPAC name of (4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium (CID 7175910) is (4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium.
What is the SMILES notation for (4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium?
The canonical SMILES for (4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium is Cc1csc(C[NH2+]C(C)C)n1.
What is the InChIKey of (4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium?
The InChIKey is BFIRMUXOKKNHBK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2S/c1-6(2)9-4-8-10-7(3)5-11-8/h5-6,9H,4H2,1-3H3/p+1.
What are the key properties of (4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium?
(4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium has a molecular weight of 171.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-2-yl)methyl-propan-2-ylazanium is sourced from PubChem (CID 7175910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).