5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C11H20N2S — CID 63296377

IUPAC5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC(C)NC1=NCC(C2CC2)S1
InChIInChI=1S/C11H20N2S/c1-3-4-8(2)13-11-12-7-10(14-11)9-5-6-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyKHVBROFAJQHZAO-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.65
Rot. Bonds4

About 5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296377) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296377
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC(C)NC1=NCC(C2CC2)S1
InChIInChI=1S/C11H20N2S/c1-3-4-8(2)13-11-12-7-10(14-11)9-5-6-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyKHVBROFAJQHZAO-UHFFFAOYSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 63296377) is 5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CCCC(C)NC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KHVBROFAJQHZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-4-8(2)13-11-12-7-10(14-11)9-5-6-9/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).