1-(1,3-thiazol-5-yl)heptan-2-amine

C10H18N2S — CID 105030705

IUPAC1-(1,3-thiazol-5-yl)heptan-2-amine
SMILESCCCCCC(N)Cc1cncs1
InChIInChI=1S/C10H18N2S/c1-2-3-4-5-9(11)6-10-7-12-8-13-10/h7-9H,2-6,11H2,1H3
InChIKeyBYSDDADEKJUUOD-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.59
Rot. Bonds6

About 1-(1,3-thiazol-5-yl)heptan-2-amine

1-(1,3-thiazol-5-yl)heptan-2-amine (PubChem CID 105030705) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-yl)heptan-2-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-5-yl)heptan-2-amine
PubChem CID105030705
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-(1,3-thiazol-5-yl)heptan-2-amine
SMILESCCCCCC(N)Cc1cncs1
InChIInChI=1S/C10H18N2S/c1-2-3-4-5-9(11)6-10-7-12-8-13-10/h7-9H,2-6,11H2,1H3
InChIKeyBYSDDADEKJUUOD-UHFFFAOYSA-N
XLogP2.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.59
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

1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine
CID 102927931
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
CID 22747843
1-thiophen-2-yltridecan-2-amine
CID 65428259
1-(5-ethylthiophen-2-yl)tridecan-2-amine
CID 115842421
1-(1,3-thiazol-5-yl)octylhydrazine
CID 105253705
1-pyridin-4-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642945
1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 62796871
1-(1,3-thiazol-5-yl)hexylhydrazine
CID 105253890
N-(1,3-thiazol-5-ylmethyl)heptan-3-amine
CID 104585423
1-pyridin-3-ylundecan-2-amine
CID 62603230
1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642897

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-yl)heptan-2-amine?
The IUPAC name of 1-(1,3-thiazol-5-yl)heptan-2-amine (CID 105030705) is 1-(1,3-thiazol-5-yl)heptan-2-amine.
What is the SMILES notation for 1-(1,3-thiazol-5-yl)heptan-2-amine?
The canonical SMILES for 1-(1,3-thiazol-5-yl)heptan-2-amine is CCCCCC(N)Cc1cncs1.
What is the InChIKey of 1-(1,3-thiazol-5-yl)heptan-2-amine?
The InChIKey is BYSDDADEKJUUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-2-3-4-5-9(11)6-10-7-12-8-13-10/h7-9H,2-6,11H2,1H3.
What are the key properties of 1-(1,3-thiazol-5-yl)heptan-2-amine?
1-(1,3-thiazol-5-yl)heptan-2-amine has a molecular weight of 198.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-yl)heptan-2-amine is sourced from PubChem (CID 105030705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).