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

C9H11N3S — CID 79046737

IUPACN-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCn1ccc(CNc2nccs2)c1
InChIInChI=1S/C9H11N3S/c1-12-4-2-8(7-12)6-11-9-10-3-5-13-9/h2-5,7H,6H2,1H3,(H,10,11)
InChIKeyCNMBHELKAMMEEA-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.09
Rot. Bonds3

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

N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79046737) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79046737
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCn1ccc(CNc2nccs2)c1
InChIInChI=1S/C9H11N3S/c1-12-4-2-8(7-12)6-11-9-10-3-5-13-9/h2-5,7H,6H2,1H3,(H,10,11)
InChIKeyCNMBHELKAMMEEA-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine (CID 79046737) is N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine is Cn1ccc(CNc2nccs2)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is CNMBHELKAMMEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-12-4-2-8(7-12)6-11-9-10-3-5-13-9/h2-5,7H,6H2,1H3,(H,10,11).
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 193.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79046737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).