N-(1,3-thiazol-5-ylmethyl)heptan-1-amine

C11H20N2S — CID 115732008

IUPACN-(1,3-thiazol-5-ylmethyl)heptan-1-amine
SMILESCCCCCCCNCc1cncs1
InChIInChI=1S/C11H20N2S/c1-2-3-4-5-6-7-12-8-11-9-13-10-14-11/h9-10,12H,2-8H2,1H3
InChIKeyKQOLJKMHUWDOGL-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.20
Rot. Bonds8

About N-(1,3-thiazol-5-ylmethyl)heptan-1-amine

N-(1,3-thiazol-5-ylmethyl)heptan-1-amine (PubChem CID 115732008) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)heptan-1-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)heptan-1-amine
PubChem CID115732008
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-(1,3-thiazol-5-ylmethyl)heptan-1-amine
SMILESCCCCCCCNCc1cncs1
InChIInChI=1S/C11H20N2S/c1-2-3-4-5-6-7-12-8-11-9-13-10-14-11/h9-10,12H,2-8H2,1H3
InChIKeyKQOLJKMHUWDOGL-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 112644435
N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine
CID 62759074
N-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine
CID 115732795
2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759622
N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 115732705
3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 62758491
N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62758290
N-(pyrimidin-5-ylmethyl)heptan-1-amine
CID 82672400
1-(1,3-thiazol-5-yl)heptan-2-amine
CID 105030705
N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine
CID 106009218
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
tert-butyl N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate
CID 115732318

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylmethyl)heptan-1-amine?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)heptan-1-amine (CID 115732008) is N-(1,3-thiazol-5-ylmethyl)heptan-1-amine.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)heptan-1-amine?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)heptan-1-amine is CCCCCCCNCc1cncs1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)heptan-1-amine?
The InChIKey is KQOLJKMHUWDOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-3-4-5-6-7-12-8-11-9-13-10-14-11/h9-10,12H,2-8H2,1H3.
What are the key properties of N-(1,3-thiazol-5-ylmethyl)heptan-1-amine?
N-(1,3-thiazol-5-ylmethyl)heptan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-5-ylmethyl)heptan-1-amine is sourced from PubChem (CID 115732008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).