N-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C12H24N2S — CID 107857892

IUPACN-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC(CC)NC1=NC(C(C)C)CS1
InChIInChI=1S/C12H24N2S/c1-5-7-10(6-2)13-12-14-11(8-15-12)9(3)4/h9-11H,5-8H2,1-4H3,(H,13,14)
InChIKeyRMQOUVVYRHCVGT-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.28
Rot. Bonds5

About N-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

N-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107857892) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107857892
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC(CC)NC1=NC(C(C)C)CS1
InChIInChI=1S/C12H24N2S/c1-5-7-10(6-2)13-12-14-11(8-15-12)9(3)4/h9-11H,5-8H2,1-4H3,(H,13,14)
InChIKeyRMQOUVVYRHCVGT-UHFFFAOYSA-N
XLogP3.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107857597
(4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114985799
(4S)-N-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247122
(4S)-N-(dicyclopropylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247412
4-ethyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439588
N-[1-(oxolan-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858180
N-(1-ethylcyclobutyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858161
(4S)-N-[4-(furan-2-yl)butan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247120
(4R)-2-ethyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole
CID 143926182
(4S)-N-(2,3,4,5,6-pentafluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 115564682
N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114009797
(4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246281

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 107857892) is N-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CCCC(CC)NC1=NC(C(C)C)CS1.
What is the InChIKey of N-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RMQOUVVYRHCVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-5-7-10(6-2)13-12-14-11(8-15-12)9(3)4/h9-11H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 228.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107857892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).