N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine

C9H16N2OS — CID 58745737

IUPACN-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(C(C)C)cs1
InChIInChI=1S/C9H16N2OS/c1-7(2)8-6-13-9(11-8)10-4-5-12-3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyVMJVHEQFJWYRHX-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.32
Rot. Bonds5

About N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine

N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 58745737) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID58745737
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(C(C)C)cs1
InChIInChI=1S/C9H16N2OS/c1-7(2)8-6-13-9(11-8)10-4-5-12-3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyVMJVHEQFJWYRHX-UHFFFAOYSA-N
XLogP2.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine (CID 58745737) is N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine is COCCNc1nc(C(C)C)cs1.
What is the InChIKey of N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is VMJVHEQFJWYRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7(2)8-6-13-9(11-8)10-4-5-12-3/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 200.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58745737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).