3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide

C10H18N4S — CID 63224469

IUPAC3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)c1nc(CC)cs1
InChIInChI=1S/C10H18N4S/c1-4-8-6-15-10(13-8)14(3)7(2)5-9(11)12/h6-7H,4-5H2,1-3H3,(H3,11,12)
InChIKeyPTIBEWSRVIWKQR-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.86
Rot. Bonds5

About 3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide

3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide (PubChem CID 63224469) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide.

Molecular Properties

Compound Name3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide
PubChem CID63224469
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)c1nc(CC)cs1
InChIInChI=1S/C10H18N4S/c1-4-8-6-15-10(13-8)14(3)7(2)5-9(11)12/h6-7H,4-5H2,1-3H3,(H3,11,12)
InChIKeyPTIBEWSRVIWKQR-UHFFFAOYSA-N
XLogP1.86
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-[methyl(pyridin-4-yl)amino]butanimidamide
CID 63224751
3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]butanimidamide
CID 114869127
3-[(3-chloro-4-pyridinyl)-methylamino]butanimidamide
CID 79840609
2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde
CID 83880353
2-[methyl(pentan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568901
2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80575301
2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide
CID 149175653
3-(diethylamino)butanimidamide
CID 60913341
ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 80567825
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanimidamide
CID 60913514
4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 83886105
3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide
CID 82866218

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide?
The IUPAC name of 3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide (CID 63224469) is 3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide.
What is the SMILES notation for 3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide?
The canonical SMILES for 3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide is [H]/N=C(\N)CC(C)N(C)c1nc(CC)cs1.
What is the InChIKey of 3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide?
The InChIKey is PTIBEWSRVIWKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-4-8-6-15-10(13-8)14(3)7(2)5-9(11)12/h6-7H,4-5H2,1-3H3,(H3,11,12).
What are the key properties of 3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide?
3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide has a molecular weight of 226.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide is sourced from PubChem (CID 63224469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).