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

C14H22N2S2 — CID 106014089

IUPACN-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1ccc(CNC2=NCC(CC(C)C)S2)s1
InChIInChI=1S/C14H22N2S2/c1-4-11-5-6-12(17-11)8-15-14-16-9-13(18-14)7-10(2)3/h5-6,10,13H,4,7-9H2,1-3H3,(H,15,16)
InChIKeyMTXGPQUXITUHFD-UHFFFAOYSA-N
MW282.48 g/mol
LogP3.92
Rot. Bonds5

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

N-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106014089) has the molecular formula C14H22N2S2 and a molecular weight of 282.48 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106014089
Molecular FormulaC14H22N2S2
Molecular Weight282.48 g/mol
Exact Mass282.12
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1ccc(CNC2=NCC(CC(C)C)S2)s1
InChIInChI=1S/C14H22N2S2/c1-4-11-5-6-12(17-11)8-15-14-16-9-13(18-14)7-10(2)3/h5-6,10,13H,4,7-9H2,1-3H3,(H,15,16)
InChIKeyMTXGPQUXITUHFD-UHFFFAOYSA-N
XLogP3.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106014089) is N-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCc1ccc(CNC2=NCC(CC(C)C)S2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MTXGPQUXITUHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S2/c1-4-11-5-6-12(17-11)8-15-14-16-9-13(18-14)7-10(2)3/h5-6,10,13H,4,7-9H2,1-3H3,(H,15,16).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 282.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106014089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).