1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

C11H15N3S — CID 66397491

IUPAC1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCc2ccn(C)c2)s1
InChIInChI=1S/C11H15N3S/c1-9-13-7-11(15-9)6-12-5-10-3-4-14(2)8-10/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyNHITWODLXOVREZ-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.08
Rot. Bonds4

About 1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 66397491) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID66397491
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCc2ccn(C)c2)s1
InChIInChI=1S/C11H15N3S/c1-9-13-7-11(15-9)6-12-5-10-3-4-14(2)8-10/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyNHITWODLXOVREZ-UHFFFAOYSA-N
XLogP2.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 66397491) is 1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncc(CNCc2ccn(C)c2)s1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is NHITWODLXOVREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-9-13-7-11(15-9)6-12-5-10-3-4-14(2)8-10/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 221.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 66397491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).