N-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine

C12H16N2S — CID 2997253

IUPACN-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine
SMILESCC1(C)CN=C(NCc2ccccc2)S1
InChIInChI=1S/C12H16N2S/c1-12(2)9-14-11(15-12)13-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,14)
InChIKeyDOAPUBTYOUJCJN-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.66
Rot. Bonds2

About N-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine

N-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine (PubChem CID 2997253) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine
PubChem CID2997253
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine
SMILESCC1(C)CN=C(NCc2ccccc2)S1
InChIInChI=1S/C12H16N2S/c1-12(2)9-14-11(15-12)13-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,14)
InChIKeyDOAPUBTYOUJCJN-UHFFFAOYSA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bethanidine
CID 2368
4,5-Dihydro-N-((4-methylphenyl)methyl)-2-thiazolamine
CID 2737945
5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2966629
(4,5-Dihydro-thiazol-2-yl)-phenethyl-amine
CID 2404807
N-(2-chlorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2996926
4H-1,3-Thiazin-2-amine, 5,6-dihydro-N-(2-phenylethyl)-
CID 2363238
4-(Benzylamino)-6-(ethylamino)-1,3,5-triazine-2-thiol
CID 976819
4-(Benzylamino)-6-(dimethylamino)-1,3,5-triazine-2-thiol
CID 976872
N-benzyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383596
N-(4-fluorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2997276
5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2997387
1,2-Dibenzylguanidine
CID 33142

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine (CID 2997253) is N-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine is CC1(C)CN=C(NCc2ccccc2)S1.
What is the InChIKey of N-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine?
The InChIKey is DOAPUBTYOUJCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-12(2)9-14-11(15-12)13-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine?
N-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine has a molecular weight of 220.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,5-dimethyl-4H-1,3-thiazol-2-amine is sourced from PubChem (CID 2997253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).