4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine

C11H19N3S2 — CID 62479790

IUPAC4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCCC1CCCN1
InChIInChI=1S/C11H19N3S2/c1-8-10(16-11(12)14-8)15-7-3-5-9-4-2-6-13-9/h9,13H,2-7H2,1H3,(H2,12,14)
InChIKeyUDLDILWHMUHRTN-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.66
Rot. Bonds5

About 4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine

4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 62479790) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is 4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine
PubChem CID62479790
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC Name4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCCC1CCCN1
InChIInChI=1S/C11H19N3S2/c1-8-10(16-11(12)14-8)15-7-3-5-9-4-2-6-13-9/h9,13H,2-7H2,1H3,(H2,12,14)
InChIKeyUDLDILWHMUHRTN-UHFFFAOYSA-N
XLogP2.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-2-(3-pyrrolidin-2-ylpropylsulfanyl)pyrimidine
CID 62480857
5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 114525516
2-(3-methylsulfanylpropyl)pyrrolidine
CID 62479260
5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
CID 61483393
1-methyl-4-(3-pyrrolidin-2-ylpropylsulfanyl)pyrazole
CID 62480496
1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole
CID 62480319
2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine
CID 62480493
2-[3-(4-bromophenyl)sulfanylpropyl]pyrrolidine
CID 62478365
1-(3-pyrrolidin-2-ylpropylsulfanyl)propan-2-amine
CID 66217435
4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine
CID 79222133
(2S)-2-hexylpyrrolidine
CID 7047826
5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 113427109

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine (CID 62479790) is 4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1SCCCC1CCCN1.
What is the InChIKey of 4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is UDLDILWHMUHRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-8-10(16-11(12)14-8)15-7-3-5-9-4-2-6-13-9/h9,13H,2-7H2,1H3,(H2,12,14).
What are the key properties of 4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine?
4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 257.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62479790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).