N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine

C9H16N2S — CID 58115634

IUPACN-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCCNc1nc(CC(C)C)cs1
InChIInChI=1S/C9H16N2S/c1-4-10-9-11-8(6-12-9)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyXDESZQBKODTHOI-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.77
Rot. Bonds4

About N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine

N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 58115634) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID58115634
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCCNc1nc(CC(C)C)cs1
InChIInChI=1S/C9H16N2S/c1-4-10-9-11-8(6-12-9)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyXDESZQBKODTHOI-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine (CID 58115634) is N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine is CCNc1nc(CC(C)C)cs1.
What is the InChIKey of N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is XDESZQBKODTHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-4-10-9-11-8(6-12-9)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine?
N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58115634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).