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

C12H16N2S — CID 563331

IUPACN-benzyl-N,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(N(C)Cc2ccccc2)S1
InChIInChI=1S/C12H16N2S/c1-10-8-13-12(15-10)14(2)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyVCMZUTRGHJWILT-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.61
Rot. Bonds2

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

N-benzyl-N,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 563331) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-benzyl-N,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-N,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID563331
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-benzyl-N,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(N(C)Cc2ccccc2)S1
InChIInChI=1S/C12H16N2S/c1-10-8-13-12(15-10)14(2)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyVCMZUTRGHJWILT-UHFFFAOYSA-N
XLogP2.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-N,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 563331) is N-benzyl-N,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-N,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-N,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(N(C)Cc2ccccc2)S1.
What is the InChIKey of N-benzyl-N,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VCMZUTRGHJWILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-10-8-13-12(15-10)14(2)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of N-benzyl-N,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
N-benzyl-N,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 220.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 563331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).