4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C9H13N3S2 — CID 164651978

IUPAC4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(NC(C)c2cscn2)=N1
InChIInChI=1S/C9H13N3S2/c1-6-3-14-9(11-6)12-7(2)8-4-13-5-10-8/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyWKZHDLBAYUWHLC-UHFFFAOYSA-N
MW227.36 g/mol
LogP2.29
Rot. Bonds2

About 4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 164651978) has the molecular formula C9H13N3S2 and a molecular weight of 227.36 g/mol. Its IUPAC name is 4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID164651978
Molecular FormulaC9H13N3S2
Molecular Weight227.36 g/mol
Exact Mass227.06
IUPAC Name4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(NC(C)c2cscn2)=N1
InChIInChI=1S/C9H13N3S2/c1-6-3-14-9(11-6)12-7(2)8-4-13-5-10-8/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyWKZHDLBAYUWHLC-UHFFFAOYSA-N
XLogP2.29
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 164651978) is 4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CC1CSC(NC(C)c2cscn2)=N1.
What is the InChIKey of 4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WKZHDLBAYUWHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S2/c1-6-3-14-9(11-6)12-7(2)8-4-13-5-10-8/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of 4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 227.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 164651978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).