5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine

C14H20N4S — CID 104534718

IUPAC5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)Cc2scnc2C)c1
InChIInChI=1S/C14H20N4S/c1-4-5-16-12-6-13(8-15-7-12)18(3)9-14-11(2)17-10-19-14/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyDIUNYDDSMLTFNN-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.30
Rot. Bonds6

About 5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine

5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine (PubChem CID 104534718) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine
PubChem CID104534718
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)Cc2scnc2C)c1
InChIInChI=1S/C14H20N4S/c1-4-5-16-12-6-13(8-15-7-12)18(3)9-14-11(2)17-10-19-14/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyDIUNYDDSMLTFNN-UHFFFAOYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104531987
5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104533243
2-[methyl-[5-(propylamino)-3-pyridinyl]amino]ethanol
CID 104532770
5-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80838918
5-N-[(2-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104533240
5-N-methyl-3-N-propyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533005
5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80818952
5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533339
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 63836696
N,N-dimethyl-2-[methyl-[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 104532890
4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(propylaminomethyl)aniline
CID 63837145
5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine
CID 113424154

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine (CID 104534718) is 5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(N(C)Cc2scnc2C)c1.
What is the InChIKey of 5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine?
The InChIKey is DIUNYDDSMLTFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-5-16-12-6-13(8-15-7-12)18(3)9-14-11(2)17-10-19-14/h6-8,10,16H,4-5,9H2,1-3H3.
What are the key properties of 5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine?
5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104534718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).