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

C9H16N2S — CID 104828727

IUPACN-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCC(Nc1nccs1)C(C)(C)C
InChIInChI=1S/C9H16N2S/c1-7(9(2,3)4)11-8-10-5-6-12-8/h5-7H,1-4H3,(H,10,11)
InChIKeyXOEUNGKGURTLPL-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.99
Rot. Bonds2

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

N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine (PubChem CID 104828727) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine
PubChem CID104828727
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCC(Nc1nccs1)C(C)(C)C
InChIInChI=1S/C9H16N2S/c1-7(9(2,3)4)11-8-10-5-6-12-8/h5-7H,1-4H3,(H,10,11)
InChIKeyXOEUNGKGURTLPL-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-1,3-thiazol-2-amine
CID 2160964
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
N-but-3-yn-2-yl-1,3-thiazol-2-amine
CID 114417967
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
N-(1-cyclobutyl-2-methylpropyl)-1,3-thiazol-2-amine
CID 127002628
N-(2-chloropropyl)-1,3-thiazol-2-amine
CID 65027252
N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 43079498
N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine
CID 79046980
1-(1,3-thiazol-2-ylamino)propan-2-ol
CID 43392072
1-(1,3-thiazol-2-ylamino)propane-1-thiol
CID 123498240
5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol
CID 107706770
2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine
CID 130505496

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine (CID 104828727) is N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine is CC(Nc1nccs1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is XOEUNGKGURTLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-7(9(2,3)4)11-8-10-5-6-12-8/h5-7H,1-4H3,(H,10,11).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine?
N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 104828727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).