4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine

C8H9IN4S — CID 130552838

IUPAC4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(Cn2cc(I)cn2)cs1
InChIInChI=1S/C8H9IN4S/c1-10-8-12-7(5-14-8)4-13-3-6(9)2-11-13/h2-3,5H,4H2,1H3,(H,10,12)
InChIKeyJISDZXWFURSJNQ-UHFFFAOYSA-N
MW320.16 g/mol
LogP2.03
Rot. Bonds3

About 4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine

4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 130552838) has the molecular formula C8H9IN4S and a molecular weight of 320.16 g/mol. Its IUPAC name is 4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID130552838
Molecular FormulaC8H9IN4S
Molecular Weight320.16 g/mol
Exact Mass319.96
IUPAC Name4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(Cn2cc(I)cn2)cs1
InChIInChI=1S/C8H9IN4S/c1-10-8-12-7(5-14-8)4-13-3-6(9)2-11-13/h2-3,5H,4H2,1H3,(H,10,12)
InChIKeyJISDZXWFURSJNQ-UHFFFAOYSA-N
XLogP2.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine 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

Thiazole, 2-(4-aminopyrazol-1-yl)-4-methyl-
CID 206686
Thiazole, 2-(4-(dimethylamino)pyrazol-1-yl)-4-methyl-, dihydrochloride
CID 206700
2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 72153025
1-Methyl-N-((2-methylthiazol-4-yl)methyl)-1H-pyrazol-3-amine
CID 60809807
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
CID 71971940
N-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-amine
CID 86786504
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1H-pyrazol-1-yl)acetamide
CID 131947424
(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanamine
CID 168853536
[2-(4-Fluoropyrazol-1-yl)-1,3-thiazol-4-yl]methanamine
CID 170039658
N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-amine
CID 206701
4-[[4-(Trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 64178082
1-[[2-(Methylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 71857842

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine (CID 130552838) is 4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine is CNc1nc(Cn2cc(I)cn2)cs1.
What is the InChIKey of 4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is JISDZXWFURSJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN4S/c1-10-8-12-7(5-14-8)4-13-3-6(9)2-11-13/h2-3,5H,4H2,1H3,(H,10,12).
What are the key properties of 4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine?
4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 320.16 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodopyrazol-1-yl)methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 130552838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).