5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine

C14H14N4S — CID 55013762

IUPAC5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine
SMILESCN(Cc1cscn1)c1ccc(N)c2ncccc12
InChIInChI=1S/C14H14N4S/c1-18(7-10-8-19-9-17-10)13-5-4-12(15)14-11(13)3-2-6-16-14/h2-6,8-9H,7,15H2,1H3
InChIKeyRICITBYWBKVUGG-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.91
Rot. Bonds3

About 5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine

5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine (PubChem CID 55013762) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine
PubChem CID55013762
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine
SMILESCN(Cc1cscn1)c1ccc(N)c2ncccc12
InChIInChI=1S/C14H14N4S/c1-18(7-10-8-19-9-17-10)13-5-4-12(15)14-11(13)3-2-6-16-14/h2-6,8-9H,7,15H2,1H3
InChIKeyRICITBYWBKVUGG-UHFFFAOYSA-N
XLogP2.91
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 55013899
5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine
CID 43563386
3-bromo-8-N-methyl-8-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine
CID 106949237
8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
CID 43564940
5-N-[(3-fluorophenyl)methyl]-5-N-methylquinoline-5,8-diamine
CID 43449405
6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine
CID 79825816
4-(aminomethyl)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55209219
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine
CID 80814608
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55012212
8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine
CID 43450085
1-N-methyl-3-methylsulfonyl-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,2-diamine
CID 82003657

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine?
The IUPAC name of 5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine (CID 55013762) is 5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine?
The canonical SMILES for 5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine is CN(Cc1cscn1)c1ccc(N)c2ncccc12.
What is the InChIKey of 5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine?
The InChIKey is RICITBYWBKVUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-18(7-10-8-19-9-17-10)13-5-4-12(15)14-11(13)3-2-6-16-14/h2-6,8-9H,7,15H2,1H3.
What are the key properties of 5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine?
5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine has a molecular weight of 270.36 g/mol, XLogP of 2.91, 3 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-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine is sourced from PubChem (CID 55013762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).