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

C13H23N3S — CID 107069286

IUPACN-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CN(C)CC1NCCCC1C
InChIInChI=1S/C13H23N3S/c1-10-5-4-6-14-12(10)7-16(3)8-13-11(2)15-9-17-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyBUIYBSQLSZFURG-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.27
Rot. Bonds4

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

N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 107069286) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID107069286
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CN(C)CC1NCCCC1C
InChIInChI=1S/C13H23N3S/c1-10-5-4-6-14-12(10)7-16(3)8-13-11(2)15-9-17-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyBUIYBSQLSZFURG-UHFFFAOYSA-N
XLogP2.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603544
2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605468
4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 130167048
1-cyclopentyl-N-methyl-N-[(3-methylpiperidin-2-yl)methyl]methanamine
CID 107069267
2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79848805
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 55261344
N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]propan-1-amine
CID 107069000
4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine
CID 63837883
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine
CID 63836858
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
1-[(3R)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 100733850

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 107069286) is N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncsc1CN(C)CC1NCCCC1C.
What is the InChIKey of N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is BUIYBSQLSZFURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10-5-4-6-14-12(10)7-16(3)8-13-11(2)15-9-17-13/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 253.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 107069286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).