4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine

C9H13N3S — CID 130735866

IUPAC4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCN2CC=CC2)cs1
InChIInChI=1S/C9H13N3S/c10-9-11-8(7-13-9)3-6-12-4-1-2-5-12/h1-2,7H,3-6H2,(H2,10,11)
InChIKeyAXYUYDAALQBJAX-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.14
Rot. Bonds3

About 4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine

4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 130735866) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID130735866
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCN2CC=CC2)cs1
InChIInChI=1S/C9H13N3S/c10-9-11-8(7-13-9)3-6-12-4-1-2-5-12/h1-2,7H,3-6H2,(H2,10,11)
InChIKeyAXYUYDAALQBJAX-UHFFFAOYSA-N
XLogP1.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-thiomorpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 65484449
4-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine
CID 82508561
4-[2-(4-propylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65484061
4-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65484466
4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine
CID 65484861
4-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,3-thiazol-2-amine
CID 65482915
4-(2-fluoroethyl)-1,3-thiazol-2-amine
CID 83854193
4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine
CID 65483300
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
4-(2-cyclopropylethyl)-1,3-thiazol-2-amine
CID 127017249
4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65483873
4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride
CID 70789243

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine (CID 130735866) is 4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine is Nc1nc(CCN2CC=CC2)cs1.
What is the InChIKey of 4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is AXYUYDAALQBJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c10-9-11-8(7-13-9)3-6-12-4-1-2-5-12/h1-2,7H,3-6H2,(H2,10,11).
What are the key properties of 4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine?
4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 195.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dihydropyrrol-1-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130735866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).