N-(1,3-thiazol-2-ylmethyl)pentan-3-amine

C9H16N2S — CID 46784226

IUPACN-(1,3-thiazol-2-ylmethyl)pentan-3-amine
SMILESCCC(CC)NCc1nccs1
InChIInChI=1S/C9H16N2S/c1-3-8(4-2)11-7-9-10-5-6-12-9/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyNQVWUFGDIQNNIV-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.42
Rot. Bonds5

About N-(1,3-thiazol-2-ylmethyl)pentan-3-amine

N-(1,3-thiazol-2-ylmethyl)pentan-3-amine (PubChem CID 46784226) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)pentan-3-amine
PubChem CID46784226
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-(1,3-thiazol-2-ylmethyl)pentan-3-amine
SMILESCCC(CC)NCc1nccs1
InChIInChI=1S/C9H16N2S/c1-3-8(4-2)11-7-9-10-5-6-12-9/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyNQVWUFGDIQNNIV-UHFFFAOYSA-N
XLogP2.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine
CID 115654848
N-(1,3-thiazol-2-ylmethyl)undecan-6-amine
CID 61285231
3-ethyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
CID 63843307
1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61285407
4-chloro-N-(1,3-thiazol-2-ylmethyl)butan-2-amine
CID 83186501
5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine
CID 103389503
N-(1,3-thiazol-2-ylmethyl)pent-4-yn-2-amine
CID 115660270
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357
1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285618
2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 61284440
2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 65232884
4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
CID 61285626

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)pentan-3-amine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)pentan-3-amine (CID 46784226) is N-(1,3-thiazol-2-ylmethyl)pentan-3-amine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)pentan-3-amine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)pentan-3-amine is CCC(CC)NCc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)pentan-3-amine?
The InChIKey is NQVWUFGDIQNNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-3-8(4-2)11-7-9-10-5-6-12-9/h5-6,8,11H,3-4,7H2,1-2H3.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)pentan-3-amine?
N-(1,3-thiazol-2-ylmethyl)pentan-3-amine has a molecular weight of 184.31 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)pentan-3-amine is sourced from PubChem (CID 46784226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).