7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine

C13H13N5S — CID 143841441

IUPAC7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine
SMILESC=C1c2c(cc(Nc3nccs3)nc2N)C=CN1C
InChIInChI=1S/C13H13N5S/c1-8-11-9(3-5-18(8)2)7-10(16-12(11)14)17-13-15-4-6-19-13/h3-7H,1H2,2H3,(H3,14,15,16,17)
InChIKeyQNOJOHYFZIHVMY-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.75
Rot. Bonds2

About 7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine

7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine (PubChem CID 143841441) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine.

Molecular Properties

Compound Name7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine
PubChem CID143841441
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine
SMILESC=C1c2c(cc(Nc3nccs3)nc2N)C=CN1C
InChIInChI=1S/C13H13N5S/c1-8-11-9(3-5-18(8)2)7-10(16-12(11)14)17-13-15-4-6-19-13/h3-7H,1H2,2H3,(H3,14,15,16,17)
InChIKeyQNOJOHYFZIHVMY-UHFFFAOYSA-N
XLogP2.75
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(chloromethyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-amine
CID 177246220
(8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine
CID 70987819
2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine
CID 164658462
N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine
CID 106329523
N-(6-ethyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 59152191
6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135239
N-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 66509318
1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095428
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820412
N-methylselanyl-1,3-thiazol-2-amine
CID 142317624
N-[2-methyl-6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95820390
methyl 4-[5-methoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazol-4-yl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate
CID 143179921

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine?
The IUPAC name of 7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine (CID 143841441) is 7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine.
What is the SMILES notation for 7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine?
The canonical SMILES for 7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine is C=C1c2c(cc(Nc3nccs3)nc2N)C=CN1C.
What is the InChIKey of 7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine?
The InChIKey is QNOJOHYFZIHVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-8-11-9(3-5-18(8)2)7-10(16-12(11)14)17-13-15-4-6-19-13/h3-7H,1H2,2H3,(H3,14,15,16,17).
What are the key properties of 7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine?
7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine has a molecular weight of 271.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-methylidene-3-N-(1,3-thiazol-2-yl)-2,7-naphthyridine-1,3-diamine is sourced from PubChem (CID 143841441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).