N-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine

C8H11N3S — CID 2101061

IUPACN-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NC2=NCCC2)s1
InChIInChI=1S/C8H11N3S/c1-6-5-10-8(12-6)11-7-3-2-4-9-7/h5H,2-4H2,1H3,(H,9,10,11)
InChIKeyXDBYSIOOTSCVNL-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.06
Rot. Bonds1

About N-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine

N-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 2101061) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine
PubChem CID2101061
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC NameN-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NC2=NCCC2)s1
InChIInChI=1S/C8H11N3S/c1-6-5-10-8(12-6)11-7-3-2-4-9-7/h5H,2-4H2,1H3,(H,9,10,11)
InChIKeyXDBYSIOOTSCVNL-UHFFFAOYSA-N
XLogP2.06
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine (CID 2101061) is N-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine is Cc1cnc(NC2=NCCC2)s1.
What is the InChIKey of N-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is XDBYSIOOTSCVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-6-5-10-8(12-6)11-7-3-2-4-9-7/h5H,2-4H2,1H3,(H,9,10,11).
What are the key properties of N-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine?
N-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 181.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrrol-5-yl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2101061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).