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

C11H15N3S — CID 104599771

IUPAC5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2ccn(C)c2)s1
InChIInChI=1S/C11H15N3S/c1-3-10-7-13-11(15-10)12-6-9-4-5-14(2)8-9/h4-5,7-8H,3,6H2,1-2H3,(H,12,13)
InChIKeyIZXVXYQFPSBWFM-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.66
Rot. Bonds4

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

5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 104599771) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID104599771
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2ccn(C)c2)s1
InChIInChI=1S/C11H15N3S/c1-3-10-7-13-11(15-10)12-6-9-4-5-14(2)8-9/h4-5,7-8H,3,6H2,1-2H3,(H,12,13)
InChIKeyIZXVXYQFPSBWFM-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 298680
3-(1H-pyrrol-1-yl)-N-1,3-thiazol-2-ylpropanamide
CID 3239524
N-(2-methylpropyl)-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-5-yl]acetamide
CID 29127775
N-(3-methylbutyl)-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-5-yl]acetamide
CID 29134018
4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 4715102
5-(1,1,1,2,3,3-Hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole
CID 141237141
1-Ethyl-2-[(1-methylpyrrol-3-yl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 112075568
2-Methyl-1-[(1-methylpyrrol-3-yl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 112075578
5-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 4715084
4-Propan-2-yl-2-pyrrol-1-yl-1,3-thiazole
CID 21760627
4-Tert-butyl-2-pyrrol-1-yl-1,3-thiazole
CID 23191351
4,5-Dimethyl-2-pyrrol-1-yl-1,3-thiazole
CID 61467607

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine (CID 104599771) is 5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine is CCc1cnc(NCc2ccn(C)c2)s1.
What is the InChIKey of 5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is IZXVXYQFPSBWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-10-7-13-11(15-10)12-6-9-4-5-14(2)8-9/h4-5,7-8H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 221.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 104599771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).