1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

C12H17N3S — CID 66444807

IUPAC1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCCn1cccc1CNCc1scnc1C
InChIInChI=1S/C12H17N3S/c1-3-15-6-4-5-11(15)7-13-8-12-10(2)14-9-16-12/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyYWMBQVAPWBJNRT-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.56
Rot. Bonds5

About 1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 66444807) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID66444807
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCCn1cccc1CNCc1scnc1C
InChIInChI=1S/C12H17N3S/c1-3-15-6-4-5-11(15)7-13-8-12-10(2)14-9-16-12/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyYWMBQVAPWBJNRT-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 66411304
N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882107
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 63280280
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 64540582
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66413345
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55173216
1-(3-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63280012
N-[(1-ethylpyrrol-2-yl)methyl]-3-phenoxypropan-1-amine
CID 66444605
1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 112582362
N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 66411681
1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325564

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 66444807) is 1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is CCn1cccc1CNCc1scnc1C.
What is the InChIKey of 1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is YWMBQVAPWBJNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-15-6-4-5-11(15)7-13-8-12-10(2)14-9-16-12/h4-6,9,13H,3,7-8H2,1-2H3.
What are the key properties of 1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 235.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 66444807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).