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

C10H17N3S — CID 64543335

IUPAC4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine
SMILESCCN(c1nc(C(C)N)cs1)C1CC1
InChIInChI=1S/C10H17N3S/c1-3-13(8-4-5-8)10-12-9(6-14-10)7(2)11/h6-8H,3-5,11H2,1-2H3
InChIKeyRUWREWBVPANGQG-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.15
Rot. Bonds4

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

4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine (PubChem CID 64543335) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine
PubChem CID64543335
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine
SMILESCCN(c1nc(C(C)N)cs1)C1CC1
InChIInChI=1S/C10H17N3S/c1-3-13(8-4-5-8)10-12-9(6-14-10)7(2)11/h6-8H,3-5,11H2,1-2H3
InChIKeyRUWREWBVPANGQG-UHFFFAOYSA-N
XLogP2.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine (CID 64543335) is 4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine is CCN(c1nc(C(C)N)cs1)C1CC1.
What is the InChIKey of 4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is RUWREWBVPANGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-13(8-4-5-8)10-12-9(6-14-10)7(2)11/h6-8H,3-5,11H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine?
4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 64543335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).