5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine

C12H16N4S — CID 63842233

IUPAC5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
SMILESCc1ncsc1CN(C)c1ccc(CN)cn1
InChIInChI=1S/C12H16N4S/c1-9-11(17-8-15-9)7-16(2)12-4-3-10(5-13)6-14-12/h3-4,6,8H,5,7,13H2,1-2H3
InChIKeyGDJQLHNAVHBVNU-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.94
Rot. Bonds4

About 5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine

5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine (PubChem CID 63842233) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
PubChem CID63842233
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
SMILESCc1ncsc1CN(C)c1ccc(CN)cn1
InChIInChI=1S/C12H16N4S/c1-9-11(17-8-15-9)7-16(2)12-4-3-10(5-13)6-14-12/h3-4,6,8H,5,7,13H2,1-2H3
InChIKeyGDJQLHNAVHBVNU-UHFFFAOYSA-N
XLogP1.94
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 63837746
5-(aminomethyl)-3-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 63837907
4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63837489
4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 107542037
3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 55259980
[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol
CID 63837123
5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 80630719
5-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylpyridin-2-amine
CID 61421914
4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 115366884
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470640
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carbothioamide
CID 55260386
6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 78952189

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine (CID 63842233) is 5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine is Cc1ncsc1CN(C)c1ccc(CN)cn1.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
The InChIKey is GDJQLHNAVHBVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9-11(17-8-15-9)7-16(2)12-4-3-10(5-13)6-14-12/h3-4,6,8H,5,7,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine has a molecular weight of 248.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 63842233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).