N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine

C14H27N3S — CID 62422802

IUPACN-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine
SMILESCCCCCN(C)Cc1csc(CNCCC)n1
InChIInChI=1S/C14H27N3S/c1-4-6-7-9-17(3)11-13-12-18-14(16-13)10-15-8-5-2/h12,15H,4-11H2,1-3H3
InChIKeyBSZOBMNSLZMIBO-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.26
Rot. Bonds10

About N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine

N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine (PubChem CID 62422802) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine
PubChem CID62422802
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine
SMILESCCCCCN(C)Cc1csc(CNCCC)n1
InChIInChI=1S/C14H27N3S/c1-4-6-7-9-17(3)11-13-12-18-14(16-13)10-15-8-5-2/h12,15H,4-11H2,1-3H3
InChIKeyBSZOBMNSLZMIBO-UHFFFAOYSA-N
XLogP3.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.26
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-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine?
The IUPAC name of N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine (CID 62422802) is N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine.
What is the SMILES notation for N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine?
The canonical SMILES for N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine is CCCCCN(C)Cc1csc(CNCCC)n1.
What is the InChIKey of N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine?
The InChIKey is BSZOBMNSLZMIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-4-6-7-9-17(3)11-13-12-18-14(16-13)10-15-8-5-2/h12,15H,4-11H2,1-3H3.
What are the key properties of N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine?
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine has a molecular weight of 269.46 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine is sourced from PubChem (CID 62422802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).