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

C15H21N3S — CID 8851250

IUPAC1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(CN(C)C)cc2)cs1
InChIInChI=1S/C15H21N3S/c1-12-17-15(11-19-12)9-16-8-13-4-6-14(7-5-13)10-18(2)3/h4-7,11,16H,8-10H2,1-3H3
InChIKeyGRAMFZWXLPTEDT-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.80
Rot. Bonds6

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

1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 8851250) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID8851250
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(CN(C)C)cc2)cs1
InChIInChI=1S/C15H21N3S/c1-12-17-15(11-19-12)9-16-8-13-4-6-14(7-5-13)10-18(2)3/h4-7,11,16H,8-10H2,1-3H3
InChIKeyGRAMFZWXLPTEDT-UHFFFAOYSA-N
XLogP2.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (CID 8851250) is 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is Cc1nc(CNCc2ccc(CN(C)C)cc2)cs1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is GRAMFZWXLPTEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12-17-15(11-19-12)9-16-8-13-4-6-14(7-5-13)10-18(2)3/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 275.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 8851250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).