N,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine

C13H23N3S2 — CID 62766753

IUPACN,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C2CCSC2)nc1C
InChIInChI=1S/C13H23N3S2/c1-4-6-14-8-12-10(2)15-13(18-12)16(3)11-5-7-17-9-11/h11,14H,4-9H2,1-3H3
InChIKeyFJHBOSBMNGGWEN-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.89
Rot. Bonds6

About N,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine

N,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 62766753) has the molecular formula C13H23N3S2 and a molecular weight of 285.48 g/mol. Its IUPAC name is N,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine
PubChem CID62766753
Molecular FormulaC13H23N3S2
Molecular Weight285.48 g/mol
Exact Mass285.13
IUPAC NameN,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C2CCSC2)nc1C
InChIInChI=1S/C13H23N3S2/c1-4-6-14-8-12-10(2)15-13(18-12)16(3)11-5-7-17-9-11/h11,14H,4-9H2,1-3H3
InChIKeyFJHBOSBMNGGWEN-UHFFFAOYSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine (CID 62766753) is N,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)C2CCSC2)nc1C.
What is the InChIKey of N,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is FJHBOSBMNGGWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S2/c1-4-6-14-8-12-10(2)15-13(18-12)16(3)11-5-7-17-9-11/h11,14H,4-9H2,1-3H3.
What are the key properties of N,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
N,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 285.48 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(propylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62766753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).