N-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

C9H16N2S — CID 43533626

IUPACN-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(NC(C)C2CC2)=N1
InChIInChI=1S/C9H16N2S/c1-6-5-12-9(10-6)11-7(2)8-3-4-8/h6-8H,3-5H2,1-2H3,(H,10,11)
InChIKeyXJMPAWAHAJESJY-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.87
Rot. Bonds2

About N-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43533626) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43533626
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(NC(C)C2CC2)=N1
InChIInChI=1S/C9H16N2S/c1-6-5-12-9(10-6)11-7(2)8-3-4-8/h6-8H,3-5H2,1-2H3,(H,10,11)
InChIKeyXJMPAWAHAJESJY-UHFFFAOYSA-N
XLogP1.87
TPSA24.39 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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43533626) is N-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CSC(NC(C)C2CC2)=N1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XJMPAWAHAJESJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-6-5-12-9(10-6)11-7(2)8-3-4-8/h6-8H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 184.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43533626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).