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

C9H11N3S — CID 104599678

IUPAC5-methyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1cnc(NCc2cc[nH]c2)s1
InChIInChI=1S/C9H11N3S/c1-7-4-11-9(13-7)12-6-8-2-3-10-5-8/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyWNOCAWGBLRTGSP-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.39
Rot. Bonds3

About 5-methyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine

5-methyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 104599678) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 5-methyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID104599678
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name5-methyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1cnc(NCc2cc[nH]c2)s1
InChIInChI=1S/C9H11N3S/c1-7-4-11-9(13-7)12-6-8-2-3-10-5-8/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyWNOCAWGBLRTGSP-UHFFFAOYSA-N
XLogP2.39
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 4715084
3-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
CID 90112516
[5-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-1H-pyrrol-2-yl]cyanamide
CID 90945481
5-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-1H-pyrrole-2-thiol
CID 90956579
2-(1H-Pyrrol-3-yl)-1,3-thiazole
CID 136249894
2-(4-methyl-1H-pyrrol-3-yl)-1,3-thiazole
CID 136445548
4-(1,3-thiazol-2-yl)-1H-pyrrol-2-amine
CID 141340071
3-methyl-1H-pyrrole;5-methyl-1,3-thiazole
CID 142893857
1H-pyrrol-2-yl(1,3-thiazol-2-yl)diazene
CID 5065710
4-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1,3-thiazol-2-amine
CID 64436715
1-(1-methylpyrrol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 66397491
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66405108

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine (CID 104599678) is 5-methyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine is Cc1cnc(NCc2cc[nH]c2)s1.
What is the InChIKey of 5-methyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is WNOCAWGBLRTGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-7-4-11-9(13-7)12-6-8-2-3-10-5-8/h2-5,10H,6H2,1H3,(H,11,12).
What are the key properties of 5-methyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine?
5-methyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 193.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1H-pyrrol-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 104599678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).