(2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine

C6H12N2S — CID 134448063

IUPAC(2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine
SMILESCC1=C(CN)NC(C)S1
InChIInChI=1S/C6H12N2S/c1-4-6(3-7)8-5(2)9-4/h5,8H,3,7H2,1-2H3
InChIKeyXZVVLRCNQIDQGW-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.86
Rot. Bonds1

About (2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine

(2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine (PubChem CID 134448063) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is (2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine
PubChem CID134448063
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name(2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine
SMILESCC1=C(CN)NC(C)S1
InChIInChI=1S/C6H12N2S/c1-4-6(3-7)8-5(2)9-4/h5,8H,3,7H2,1-2H3
InChIKeyXZVVLRCNQIDQGW-UHFFFAOYSA-N
XLogP0.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine (CID 134448063) is (2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine is CC1=C(CN)NC(C)S1.
What is the InChIKey of (2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine?
The InChIKey is XZVVLRCNQIDQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-4-6(3-7)8-5(2)9-4/h5,8H,3,7H2,1-2H3.
What are the key properties of (2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine?
(2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine has a molecular weight of 144.24 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 134448063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).