N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine

C13H25N3S — CID 62749940

IUPACN-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(C)C(C)CCC)s1
InChIInChI=1S/C13H25N3S/c1-5-7-11(3)16(4)13-15-10-12(17-13)9-14-8-6-2/h10-11,14H,5-9H2,1-4H3
InChIKeyNPNUBQLXLFBOMZ-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.27
Rot. Bonds8

About N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine

N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62749940) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62749940
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(C)C(C)CCC)s1
InChIInChI=1S/C13H25N3S/c1-5-7-11(3)16(4)13-15-10-12(17-13)9-14-8-6-2/h10-11,14H,5-9H2,1-4H3
InChIKeyNPNUBQLXLFBOMZ-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 62749940) is N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1cnc(N(C)C(C)CCC)s1.
What is the InChIKey of N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is NPNUBQLXLFBOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-7-11(3)16(4)13-15-10-12(17-13)9-14-8-6-2/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62749940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).