2-pyrrolidin-1-yl-1,3-thiazol-4-imine

C7H11N3S — CID 820809

IUPAC2-pyrrolidin-1-yl-1,3-thiazol-4-imine
SMILES[H]/N=C1\CSC(N2CCCC2)=N1
InChIInChI=1S/C7H11N3S/c8-6-5-11-7(9-6)10-3-1-2-4-10/h8H,1-5H2/b8-6+
InChIKeyOYIMJDAPPQTBPO-SOFGYWHQSA-N
MW169.25 g/mol
LogP1.16
Rot. Bonds

About 2-pyrrolidin-1-yl-1,3-thiazol-4-imine

2-pyrrolidin-1-yl-1,3-thiazol-4-imine (PubChem CID 820809) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1,3-thiazol-4-imine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1,3-thiazol-4-imine
PubChem CID820809
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-pyrrolidin-1-yl-1,3-thiazol-4-imine
SMILES[H]/N=C1\CSC(N2CCCC2)=N1
InChIInChI=1S/C7H11N3S/c8-6-5-11-7(9-6)10-3-1-2-4-10/h8H,1-5H2/b8-6+
InChIKeyOYIMJDAPPQTBPO-SOFGYWHQSA-N
XLogP1.16
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-imino-1,3-thiazol-2-amine
CID 2094168
2-(Pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 12320961
2-Pyrrolidino-4-imino-2-thiazoline hydrochloride
CID 16245297
2-(3-Ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine
CID 22764195
2-Pyrrolidinyl-1,3-thiazolin-4-imine, chloride
CID 43833507
1-[(3S)-3-methylsulfanylpyrrolidin-1-yl]ethanimine
CID 59990578
1-(3-Methylsulfanylpyrrolidin-1-yl)ethanimine
CID 20766412
2-pyrrolidin-1-ium-1-ylidene-5H-1,3-thiazol-4-amine
CID 43833508
2-Methylsulfanyl-1-pyrrolidin-1-ylethanimine
CID 63179564
1-(2-Methylsulfanylethyl)pyrrolidin-2-imine
CID 63966554

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1,3-thiazol-4-imine?
The IUPAC name of 2-pyrrolidin-1-yl-1,3-thiazol-4-imine (CID 820809) is 2-pyrrolidin-1-yl-1,3-thiazol-4-imine.
What is the SMILES notation for 2-pyrrolidin-1-yl-1,3-thiazol-4-imine?
The canonical SMILES for 2-pyrrolidin-1-yl-1,3-thiazol-4-imine is [H]/N=C1\CSC(N2CCCC2)=N1.
What is the InChIKey of 2-pyrrolidin-1-yl-1,3-thiazol-4-imine?
The InChIKey is OYIMJDAPPQTBPO-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11N3S/c8-6-5-11-7(9-6)10-3-1-2-4-10/h8H,1-5H2/b8-6+.
What are the key properties of 2-pyrrolidin-1-yl-1,3-thiazol-4-imine?
2-pyrrolidin-1-yl-1,3-thiazol-4-imine has a molecular weight of 169.25 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1,3-thiazol-4-imine is sourced from PubChem (CID 820809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).