2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide

C9H15N3S — CID 149175653

IUPAC2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide
SMILES[H]/N=C(\N)Cc1nc(CC(C)C)cs1
InChIInChI=1S/C9H15N3S/c1-6(2)3-7-5-13-9(12-7)4-8(10)11/h5-6H,3-4H2,1-2H3,(H3,10,11)
InChIKeyWZXYNLDHOPGIDI-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.82
Rot. Bonds4

About 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide

2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide (PubChem CID 149175653) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide
PubChem CID149175653
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide
SMILES[H]/N=C(\N)Cc1nc(CC(C)C)cs1
InChIInChI=1S/C9H15N3S/c1-6(2)3-7-5-13-9(12-7)4-8(10)11/h5-6H,3-4H2,1-2H3,(H3,10,11)
InChIKeyWZXYNLDHOPGIDI-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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

2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965082
methyl 3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butanoate
CID 116969733
3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine
CID 116969696
2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965203
ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 142312130
4-(2-methylpropyl)-2-undecyl-1,3-thiazole
CID 122184889
2-(4-ethyl-1,3-thiazol-2-yl)acetamide
CID 116970126
methyl 2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanoate
CID 116969019
(2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate
CID 65211790
1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one
CID 63199048
4-(2-methylpropyl)-2-(2-piperidin-2-ylethyl)-1,3-thiazole
CID 116968484
2-(6-methoxy-2-pyridinyl)ethanimidamide
CID 63986887

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide?
The IUPAC name of 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide (CID 149175653) is 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide?
The canonical SMILES for 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide is [H]/N=C(\N)Cc1nc(CC(C)C)cs1.
What is the InChIKey of 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide?
The InChIKey is WZXYNLDHOPGIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(2)3-7-5-13-9(12-7)4-8(10)11/h5-6H,3-4H2,1-2H3,(H3,10,11).
What are the key properties of 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide?
2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide has a molecular weight of 197.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide is sourced from PubChem (CID 149175653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).