2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine

C11H21N3S — CID 104682227

IUPAC2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine
SMILESCC(CCCN)CNCCc1cscn1
InChIInChI=1S/C11H21N3S/c1-10(3-2-5-12)7-13-6-4-11-8-15-9-14-11/h8-10,13H,2-7,12H2,1H3
InChIKeyKWFFEZMFBICCKC-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.65
Rot. Bonds8

About 2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine

2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine (PubChem CID 104682227) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine
PubChem CID104682227
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine
SMILESCC(CCCN)CNCCc1cscn1
InChIInChI=1S/C11H21N3S/c1-10(3-2-5-12)7-13-6-4-11-8-15-9-14-11/h8-10,13H,2-7,12H2,1H3
InChIKeyKWFFEZMFBICCKC-UHFFFAOYSA-N
XLogP1.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-N-[2-(1,3-thiazol-4-yl)ethyl]heptane-1,6-diamine
CID 65296150
N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 79202050
N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine
CID 104682080
5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
CID 82688020
2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62529899
2-methyl-N-(3-methylbutyl)pentane-1,5-diamine
CID 146231841
N-butyl-2-methylpentane-1,5-diamine
CID 104681936
3-[(5-amino-2-methylpentyl)amino]propanal
CID 90399797
4-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]aniline
CID 63825390
5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
CID 79002634
1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine
CID 115731950
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63831315

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine?
The IUPAC name of 2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine (CID 104682227) is 2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine.
What is the SMILES notation for 2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine?
The canonical SMILES for 2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine is CC(CCCN)CNCCc1cscn1.
What is the InChIKey of 2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine?
The InChIKey is KWFFEZMFBICCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-10(3-2-5-12)7-13-6-4-11-8-15-9-14-11/h8-10,13H,2-7,12H2,1H3.
What are the key properties of 2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine?
2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine has a molecular weight of 227.38 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine is sourced from PubChem (CID 104682227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).