N-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

C8H10N2S2 — CID 4852849

IUPACN-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1csc(CNC2=NCCS2)c1
InChIInChI=1S/C8H10N2S2/c1-2-7(11-4-1)6-10-8-9-3-5-12-8/h1-2,4H,3,5-6H2,(H,9,10)
InChIKeyGCBVXRLGGRNSHB-UHFFFAOYSA-N
MW198.32 g/mol
LogP1.94
Rot. Bonds2

About N-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 4852849) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID4852849
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC NameN-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1csc(CNC2=NCCS2)c1
InChIInChI=1S/C8H10N2S2/c1-2-7(11-4-1)6-10-8-9-3-5-12-8/h1-2,4H,3,5-6H2,(H,9,10)
InChIKeyGCBVXRLGGRNSHB-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 4852849) is N-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is c1csc(CNC2=NCCS2)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GCBVXRLGGRNSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2/c1-2-7(11-4-1)6-10-8-9-3-5-12-8/h1-2,4H,3,5-6H2,(H,9,10).
What are the key properties of N-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 198.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 4852849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).