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

C9H11N3S — CID 66407448

IUPAC1-(1H-pyrrol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCc2cc[nH]c2)n1
InChIInChI=1S/C9H11N3S/c1-2-10-5-8(1)6-11-7-9-12-3-4-13-9/h1-5,10-11H,6-7H2
InChIKeyPJICBEQPOAUZLI-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.76
Rot. Bonds4

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

1-(1H-pyrrol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 66407448) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 1-(1H-pyrrol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1H-pyrrol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID66407448
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name1-(1H-pyrrol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCc2cc[nH]c2)n1
InChIInChI=1S/C9H11N3S/c1-2-10-5-8(1)6-11-7-9-12-3-4-13-9/h1-5,10-11H,6-7H2
InChIKeyPJICBEQPOAUZLI-UHFFFAOYSA-N
XLogP1.76
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(1H-pyrrol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 66407448) is 1-(1H-pyrrol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1H-pyrrol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1H-pyrrol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is c1csc(CNCc2cc[nH]c2)n1.
What is the InChIKey of 1-(1H-pyrrol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is PJICBEQPOAUZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-2-10-5-8(1)6-11-7-9-12-3-4-13-9/h1-5,10-11H,6-7H2.
What are the key properties of 1-(1H-pyrrol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(1H-pyrrol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 193.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 66407448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).