N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine

C9H16N2S — CID 106329523

IUPACN-(3-methylpentan-3-yl)-1,3-thiazol-2-amine
SMILESCCC(C)(CC)Nc1nccs1
InChIInChI=1S/C9H16N2S/c1-4-9(3,5-2)11-8-10-6-7-12-8/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyPRDGYFVHZAKAHL-UHFFFAOYSA-N
MW184.31 g/mol
LogP3.13
Rot. Bonds4

About N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine

N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine (PubChem CID 106329523) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)-1,3-thiazol-2-amine
PubChem CID106329523
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-(3-methylpentan-3-yl)-1,3-thiazol-2-amine
SMILESCCC(C)(CC)Nc1nccs1
InChIInChI=1S/C9H16N2S/c1-4-9(3,5-2)11-8-10-6-7-12-8/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyPRDGYFVHZAKAHL-UHFFFAOYSA-N
XLogP3.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol
CID 107866128
2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
CID 106251724
3-methyl-3-(1,3-thiazol-2-ylamino)butanoic acid
CID 64699814
N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine
CID 170098031
2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid
CID 61266713
N-methylselanyl-1,3-thiazol-2-amine
CID 142317624
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
methane;N-methyl-1,3-thiazol-2-amine
CID 157106856
N-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 87242270
N-(2-chloropropyl)-1,3-thiazol-2-amine
CID 65027252
N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine
CID 104828727
3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine
CID 106287080

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine (CID 106329523) is N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine is CCC(C)(CC)Nc1nccs1.
What is the InChIKey of N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is PRDGYFVHZAKAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-4-9(3,5-2)11-8-10-6-7-12-8/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine?
N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 184.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 106329523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).