N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine

C11H13N3S — CID 76540758

IUPACN-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCN(Cc1cccnc1)Cc1cncs1
InChIInChI=1S/C11H13N3S/c1-14(8-11-6-13-9-15-11)7-10-3-2-4-12-5-10/h2-6,9H,7-8H2,1H3
InChIKeySSCRCSYDMSKGMY-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.17
Rot. Bonds4

About N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine

N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 76540758) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID76540758
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCN(Cc1cccnc1)Cc1cncs1
InChIInChI=1S/C11H13N3S/c1-14(8-11-6-13-9-15-11)7-10-3-2-4-12-5-10/h2-6,9H,7-8H2,1H3
InChIKeySSCRCSYDMSKGMY-UHFFFAOYSA-N
XLogP2.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine;(E)-N-methyl-N-(1,3-thiazol-5-ylmethyl)but-2-en-2-amine
CID 158173480
N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 86815162
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
2-ethyl-1-N-methyl-1-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 79813886
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 173272882
CID 174532487
CID 174532487
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 43664653
N-methyl-N-(pyridin-3-ylmethyl)thiophen-2-amine
CID 154729661
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 56883288

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 76540758) is N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine is CN(Cc1cccnc1)Cc1cncs1.
What is the InChIKey of N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is SSCRCSYDMSKGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-14(8-11-6-13-9-15-11)7-10-3-2-4-12-5-10/h2-6,9H,7-8H2,1H3.
What are the key properties of N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine?
N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 219.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 76540758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).