N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine

C8H9N3S — CID 79047834

IUPACN-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine
SMILESc1csc(NCc2cc[nH]c2)n1
InChIInChI=1S/C8H9N3S/c1-2-9-5-7(1)6-11-8-10-3-4-12-8/h1-5,9H,6H2,(H,10,11)
InChIKeyYJMQGRIYVWMTKN-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.08
Rot. Bonds3

About N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine

N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 79047834) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID79047834
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC NameN-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine
SMILESc1csc(NCc2cc[nH]c2)n1
InChIInChI=1S/C8H9N3S/c1-2-9-5-7(1)6-11-8-10-3-4-12-8/h1-5,9H,6H2,(H,10,11)
InChIKeyYJMQGRIYVWMTKN-UHFFFAOYSA-N
XLogP2.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine (CID 79047834) is N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine is c1csc(NCc2cc[nH]c2)n1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is YJMQGRIYVWMTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-2-9-5-7(1)6-11-8-10-3-4-12-8/h1-5,9H,6H2,(H,10,11).
What are the key properties of N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 179.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79047834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).