3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine

C10H18N2S — CID 105015255

IUPAC3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCC(CC)C(N)Cc1nccs1
InChIInChI=1S/C10H18N2S/c1-3-8(4-2)9(11)7-10-12-5-6-13-10/h5-6,8-9H,3-4,7,11H2,1-2H3
InChIKeyCWEZNEOWRFSYGD-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.45
Rot. Bonds5

About 3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine

3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 105015255) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
PubChem CID105015255
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCC(CC)C(N)Cc1nccs1
InChIInChI=1S/C10H18N2S/c1-3-8(4-2)9(11)7-10-12-5-6-13-10/h5-6,8-9H,3-4,7,11H2,1-2H3
InChIKeyCWEZNEOWRFSYGD-UHFFFAOYSA-N
XLogP2.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715056
3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine
CID 106287080
3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116757294
[3,3-dimethyl-1-(1,3-thiazol-2-yl)pentan-2-yl]hydrazine
CID 105324712
propane-1,1-diamine;2-propyl-1,3-thiazole
CID 67654906
2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide
CID 175140576
4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105169291
[3-methyl-1-(1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105199664
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
CID 79824612
methyl 2-(1,3-thiazol-2-ylmethyl)butanoate
CID 79823968
1-(2,2,3,3-tetramethylcyclopropyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015162

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of 3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine (CID 105015255) is 3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for 3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for 3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine is CCC(CC)C(N)Cc1nccs1.
What is the InChIKey of 3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is CWEZNEOWRFSYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-8(4-2)9(11)7-10-12-5-6-13-10/h5-6,8-9H,3-4,7,11H2,1-2H3.
What are the key properties of 3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 198.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 105015255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).