4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide

C9H15N3S — CID 82428484

IUPAC4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCC)nc1CC
InChIInChI=1S/C9H15N3S/c1-3-5-7-12-6(4-2)8(13-7)9(10)11/h3-5H2,1-2H3,(H3,10,11)
InChIKeyRBPOJQBKGCQYLK-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.94
Rot. Bonds4

About 4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide

4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide (PubChem CID 82428484) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide
PubChem CID82428484
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCC)nc1CC
InChIInChI=1S/C9H15N3S/c1-3-5-7-12-6(4-2)8(13-7)9(10)11/h3-5H2,1-2H3,(H3,10,11)
InChIKeyRBPOJQBKGCQYLK-UHFFFAOYSA-N
XLogP1.94
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.94
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'}

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Related Compounds

4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide
CID 82440152
2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82433107
4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide
CID 82429750
2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82429557
2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82429808
4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide
CID 82428295
2-[(2-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82431812
2-(azepan-1-yl)-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82431120
2-[(2-fluorophenoxy)methyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82431947
2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82427595
4-propyl-1,3-thiazole-5-carboximidamide
CID 82431173
4,5-diethyl-2-propyl-1,3-thiazole
CID 150030476

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide (CID 82428484) is 4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(CCC)nc1CC.
What is the InChIKey of 4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide?
The InChIKey is RBPOJQBKGCQYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-3-5-7-12-6(4-2)8(13-7)9(10)11/h3-5H2,1-2H3,(H3,10,11).
What are the key properties of 4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide?
4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide has a molecular weight of 197.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82428484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).