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

C13H18N2S2 — CID 106014087

IUPAC5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1ccc(CNC2=NCC(C3CC3)S2)s1
InChIInChI=1S/C13H18N2S2/c1-2-10-5-6-11(16-10)7-14-13-15-8-12(17-13)9-3-4-9/h5-6,9,12H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyZSBDSWZOLWERTO-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.28
Rot. Bonds4

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

5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106014087) has the molecular formula C13H18N2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106014087
Molecular FormulaC13H18N2S2
Molecular Weight266.43 g/mol
Exact Mass266.09
IUPAC Name5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCc1ccc(CNC2=NCC(C3CC3)S2)s1
InChIInChI=1S/C13H18N2S2/c1-2-10-5-6-11(16-10)7-14-13-15-8-12(17-13)9-3-4-9/h5-6,9,12H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyZSBDSWZOLWERTO-UHFFFAOYSA-N
XLogP3.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 106014087) is 5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is CCc1ccc(CNC2=NCC(C3CC3)S2)s1.
What is the InChIKey of 5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZSBDSWZOLWERTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-2-10-5-6-11(16-10)7-14-13-15-8-12(17-13)9-3-4-9/h5-6,9,12H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of 5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 266.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106014087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).