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

C11H15N3S — CID 62131520

IUPAC1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2cccn2C)cs1
InChIInChI=1S/C11H15N3S/c1-9-13-10(8-15-9)6-12-7-11-4-3-5-14(11)2/h3-5,8,12H,6-7H2,1-2H3
InChIKeyTYMKGQWBRNBRKN-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.08
Rot. Bonds4

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

1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 62131520) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID62131520
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2cccn2C)cs1
InChIInChI=1S/C11H15N3S/c1-9-13-10(8-15-9)6-12-7-11-4-3-5-14(11)2/h3-5,8,12H,6-7H2,1-2H3
InChIKeyTYMKGQWBRNBRKN-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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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66413347
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 110474082
1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 115693290
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60960976
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
1-(4-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine;hydrochloride
CID 17332528
1-(4-iodophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65479206
N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 122168776
N-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115652412
1-(2-methyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)methanamine
CID 63315350
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyridin-2-ylphenyl)methanamine
CID 131899021
2-methyl-6-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 112554021

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (CID 62131520) is 1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is Cc1nc(CNCc2cccn2C)cs1.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is TYMKGQWBRNBRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-9-13-10(8-15-9)6-12-7-11-4-3-5-14(11)2/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-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-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 62131520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).