4-propyl-1,3-thiazole-5-carboximidamide

C7H11N3S — CID 82431173

IUPAC4-propyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1scnc1CCC
InChIInChI=1S/C7H11N3S/c1-2-3-5-6(7(8)9)11-4-10-5/h4H,2-3H2,1H3,(H3,8,9)
InChIKeyCMXCJPLYVVXDTO-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.38
Rot. Bonds3

About 4-propyl-1,3-thiazole-5-carboximidamide

4-propyl-1,3-thiazole-5-carboximidamide (PubChem CID 82431173) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 4-propyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-propyl-1,3-thiazole-5-carboximidamide
PubChem CID82431173
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name4-propyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1scnc1CCC
InChIInChI=1S/C7H11N3S/c1-2-3-5-6(7(8)9)11-4-10-5/h4H,2-3H2,1H3,(H3,8,9)
InChIKeyCMXCJPLYVVXDTO-UHFFFAOYSA-N
XLogP1.38
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-propyl-1,3-thiazole-5-carboximidamide 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

ethyl 4-methyl-1,3-thiazole-5-carboxylate;4-methyl-1,3-thiazole-5-carboximidamide;hydrochloride
CID 161462361
2-(4-propyl-1,3-thiazol-5-yl)propan-2-amine
CID 82431180
4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide
CID 82428484
2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82433107
2-[(2-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82431812
2-[(2-fluorophenoxy)methyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82431947
4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide
CID 82440152
4-pentyl-1,3-thiazole-5-carboxylic acid
CID 19885521
2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide
CID 82432584
2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82429557
2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide
CID 82424916
4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide
CID 82429750

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-propyl-1,3-thiazole-5-carboximidamide (CID 82431173) is 4-propyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-propyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-propyl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1scnc1CCC.
What is the InChIKey of 4-propyl-1,3-thiazole-5-carboximidamide?
The InChIKey is CMXCJPLYVVXDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-2-3-5-6(7(8)9)11-4-10-5/h4H,2-3H2,1H3,(H3,8,9).
What are the key properties of 4-propyl-1,3-thiazole-5-carboximidamide?
4-propyl-1,3-thiazole-5-carboximidamide has a molecular weight of 169.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82431173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).