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

C11H20N2S — CID 104585423

IUPACN-(1,3-thiazol-5-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)NCc1cncs1
InChIInChI=1S/C11H20N2S/c1-3-5-6-10(4-2)13-8-11-7-12-9-14-11/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyFREFCFUUPAEILO-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.20
Rot. Bonds7

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

N-(1,3-thiazol-5-ylmethyl)heptan-3-amine (PubChem CID 104585423) 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-3-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)heptan-3-amine
PubChem CID104585423
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-(1,3-thiazol-5-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)NCc1cncs1
InChIInChI=1S/C11H20N2S/c1-3-5-6-10(4-2)13-8-11-7-12-9-14-11/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyFREFCFUUPAEILO-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine
CID 63843497
N-(pyridin-4-ylmethyl)heptan-3-amine
CID 63947303
4-methylsulfanyl-2-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 115732846
5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine
CID 62759038
N-(1,3-thiazol-5-ylmethyl)heptan-1-amine
CID 115732008
(2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol
CID 94578982
ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate
CID 104589369
5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643106
1-(1,3-thiazol-5-yl)heptan-2-amine
CID 105030705
(3R)-3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 103854616
3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 81421993
2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 103391134

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylmethyl)heptan-3-amine?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)heptan-3-amine (CID 104585423) is N-(1,3-thiazol-5-ylmethyl)heptan-3-amine.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)heptan-3-amine?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)heptan-3-amine is CCCCC(CC)NCc1cncs1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)heptan-3-amine?
The InChIKey is FREFCFUUPAEILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-5-6-10(4-2)13-8-11-7-12-9-14-11/h7,9-10,13H,3-6,8H2,1-2H3.
What are the key properties of N-(1,3-thiazol-5-ylmethyl)heptan-3-amine?
N-(1,3-thiazol-5-ylmethyl)heptan-3-amine has a molecular weight of 212.36 g/mol, XLogP of 3.20, 7 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-3-amine is sourced from PubChem (CID 104585423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).